6-氯-9-(3-N-(2-氯乙基氨)丙氨基-2-甲氧基吖啶二盐酸盐

6-氯-9-(3-N-(2-氯乙基氨)丙氨基-2-甲氧基吖啶二盐酸盐 基本信息
CAS号 17070-45-0 分子式 C19H23Cl4N3O
分子量 451.21700 精确质量  449.06000
PSA  46.18000 LogP  6.74830

基本信息 展开↓

CAS号:
17070-45-0
3D弹球模型:
立即前往扯扯看
分子式:
C19H23Cl4N3O
分子量:
451.21700
中文名称:
6-氯-9-(3-N-(2-氯乙基氨)丙氨基-2-甲氧基吖啶二盐酸盐
英文名称:
6-CHLORO-9-[3-(2-CHLOROETHYLAMINO)PROPYLAMINO]-2-METHOXYACRIDINE DIHYDROCHLORIDE
中文别名:
6-氯-9-(3-N-(2-氯乙基氨)丙氨基-2-甲氧基吖啶二盐酸盐;
6-Chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine dihydrochloride
英文别名:
6-CHLORO-9-[3-(2-CHLOROETHYLAMINO)PROPYLAMINO]-2-METHOXYACRIDINE DIHYDROCHLORIDE;
ICR 191 ACRIDINE MUTAGEN;
ACRIDINEICR191;
AMES MUTAGEN 191;
icr-191a;
ICR-191ACRIDINE;
ACRIDINE MUTAGEN ICR 191;
ICR 191 ACRIDINE MUTAGEN DIHYDROCHLORIDE;
icr-191;
ICR-191DIHYDROCHLORIDE;
6-Chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine dihydrochloride;
icrdihydrochloride
精确分子量/精确质量:
449.06000
极性分子表面积/PSA:
46.18000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00013320
EINECS:
241-129-4
PubChem:
24896042
BRN:
8176205
InChI:
The Key: PQVLERLLNMDETJ-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


用于诱变物和致癌物的检定和分类。

用途简介


用途


用于诱变物和致癌物的检定和分类。

物化性质展开↓

熔点:
261-262ºC
存储条件/存储方法:

密封4干燥保存。

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:晶体

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):261-262

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
危险类别码:
45-46-26/27/28
安全说明:
53-36/37/39-45
安全标志:
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S53:避免暴露——使用前先阅读专门的说明。
:
危险标志:
T+: Very toxic;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR7678000
CHEMICAL NAME :
Acridine, 6-chloro-9-(3-((2-chloroethyl)amino)propyl)amino-2-me thoxy-, dihydrochloride
CAS REGISTRY NUMBER :
17070-45-0
LAST UPDATED :
199410
DATA ITEMS CITED :
41
MOLECULAR FORMULA :
C19-H21-Cl2-N3-O.2Cl-H
MOLECULAR WEIGHT :
451.25
WISWESSER LINE NOTATION :
T C666 BNJ EG IM3M2G LO1 &GH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD20 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
41 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Amphibian - frog Embryo
DOSE/DURATION :
1 umol/L
REFERENCE :
JCLLAX Journal of Cellular Physiology. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.67- 1966- Volume(issue)/page/year: 94,187,1978
生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Acridine Mutagen ICR 191    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 17070-45-0    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Acute toxicity, Inhalation (Category 1), H330
    Acute toxicity, Dermal (Category 2), H310
    Acute toxicity, Oral (Category 2), H300
    Carcinogenicity (Category 1B), H350
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    T+ Very toxic        R45, R46, R26/27/28    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H300        Fatal if swallowed.    
    H310        Fatal in contact with skin.    
    H330        Fatal if inhaled.    
    H350        May cause cancer.    
    Precautionary statement(s)
    P201        Obtain special instructions before use.    
    P260        Do not breathe dust/ fume/ gas/ mist/ vapours/ spray.    
    P264        Wash hands thoroughly after handling.    
    P280        Wear protective gloves/ protective clothing.    
    P284        Wear respiratory protection.    
    P302 + P350        IF ON SKIN: Gently wash with plenty of soap and water.    
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Synonyms        : 6-Chloro-9-[3-(2-chloroethylamino)propylamino]-2-    
    methoxyacridinedihydrochloride
    Formula        : C19H21Cl2N3O · 2HCl    
    Molecular Weight        : 451,22 g/mol    
    CAS-No.        : 17070-45-0    
    EC-No.        : 241-129-4    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  6-Chloro-9-[[3-[(2-chloroethyl)amino]propyl]amino]-2-methoxyacridine dihydrochloride
    Acute Tox. 1; Acute Tox. 2;        -    
    Carc. 1B; H300, H310, H330,
    H350
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  6-Chloro-9-[[3-[(2-chloroethyl)amino]propyl]amino]-2-methoxyacridine dihydrochloride
    T+, R45 - R46 - R26/27/28        -    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, nitrogen oxides (NOx), Hydrogen chloride gas
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Wear respiratory protection. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.Avoid exposure - obtain special
    instructions before use.
    Provide appropriate exhaust ventilation at places where dust is formed.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Recommended storage temperature: 2 - 8 °C
    Light sensitive.
  Specific end use(s)
    A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
    Full contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 480 min
    Material tested:Dermatril® (KCL 740 / Z677272, Size M)
    Splash contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 480 min
    Material tested:Dermatril® (KCL 740 / Z677272, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300,     test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
    respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
    controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
    respirators and components tested and approved under appropriate government standards such
    as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: powder    
    Colour: yellow
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evapouration rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    Possible human carcinogen
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: AR7678000
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 2811        IMDG: 2811        IATA: 2811    
  UN proper shipping name
    ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (6-Chloro-9-[[3-[(2-chloroethyl)amino]propyl]amino]-2-
    methoxyacridine dihydrochloride)
    IMDG:        TOXIC SOLID, ORGANIC, N.O.S. (6-Chloro-9-[[3-[(2-chloroethyl)amino]propyl]amino]-2-    
    methoxyacridine dihydrochloride)
    IATA:        Toxic solid, organic, n.o.s. (6-Chloro-9-[[3-[(2-chloroethyl)amino]propyl]amino]-2-    
    methoxyacridine dihydrochloride)
  Transport hazard class(es)
    ADR/RID: 6.1        IMDG: 6.1        IATA: 6.1    
  Packaging group
    ADR/RID: I        IMDG: I        IATA: I    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Carc.        Carcinogenicity    
    H300        Fatal if swallowed.    
    H310        Fatal in contact with skin.    
    H330        Fatal if inhaled.    
    H350        May cause cancer.    
  Full text of R-phrases referred to under sections 2 and 3
    T+        Very toxic    
    R26/27/28        Very toxic by inhalation, in contact with skin and if swallowed.    
    R45        May cause cancer.    
    R46        May cause heritable genetic damage.    
  Further information
    Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

分子结构与计算化学数据展开↓

分子结构数据


1   摩尔折射率:108.18

2   摩尔体积m3/mol):292.5

3   等张比容90.2K):786.0

4   表面张力3.0 dyne/cm):52.1

5   极化率0.5 10-24cm3):42.88

计算化学数据


1、   疏水参数计算参考值(XlogP):5.4

2、   氢键供体数量:3

3、   氢键受体数量:2

4、   可旋转化学键数量:8

5、   拓扑分子极性表面积(TPSA):52

6、   重原子数量:25

7、   表面电荷:2

8、   复杂度:401

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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