1,4-二氨基蒽醌

1,4-二氨基蒽醌 基本信息
CAS号 128-95-0 分子式 C14H10N2O2
分子量 238.24100 精确质量  238.07400
PSA  86.18000 LogP  2.78880

基本信息 展开↓

CAS号:
128-95-0
3D弹球模型:
立即前往扯扯看
分子式:
C14H10N2O2
分子量:
238.24100
中文名称:
1,4-二氨基蒽醌
英文名称:
1,4-Diaminoanthraquinone
中文别名:
1,4-二氨基蒽醌;
蒽醌-1,4-二胺;
苏丹紫;
1,4-二氨基-9,10-蒽二酮;
分散紫 1;
苏旦紫;
分散紫 2R;
溶剂紫 ER;
杜南醇紫2R;
C.I.分散紫1;
1,4-二胺蒽醌;
1:4-二胺蒽醌
英文别名:
1,4-Diaminoanthraquinone;
1,4-Diaminoanthracene-9,10-dione;
1,4-Diamino anthraquinone
精确分子量/精确质量:
238.07400
极性分子表面积/PSA:
86.18000
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:
MFCD00001224
EINECS:
204-922-6
PubChem:
24862847
BRN:
2216556
InChI:
The Key: FBMQNRKSAWNXBT-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


生产方法简述由对苯二酚与苯酐缩合得1,4-二羟基蒽醌,然后氨化得1,4-二氨基蒽醌隐色体,再以发烟硫酸氧化而得。原料消耗定额:苯酐2131kg/t、对苯二酚887kg/t、氨水(20%)10788kg/t、发烟硫酸3580kg/t。

合成制备方法


生产方法简述

由对苯二酚与苯酐缩合得1,4-二羟基蒽醌,然后氨化得1,4-二氨基蒽醌隐色体,再以发烟硫酸氧化而得。原料消耗定额:苯酐2131kg/t、对苯二酚887kg/t、氨水(20%)10788kg/t、发烟硫酸3580kg/t。

用途简介


本品主要用于制造色酚AS及其它各种色酚中间体,也可用于医药、有机颜料中间体。

用途


主要用于制备蒽醌系还原染料、分散染料、酸性染料等,如还原橄榄R、还原棕BR、分散紫H-FRL、分散翠蓝H-GL等染料。其本身可作为分散紫染料使用。

物化性质展开↓

外观与性状:
紫罗兰色粉末
密度:
1.456g/cm3
熔点:
265-269 °C(lit.)
沸点:
544.2ºC at 760 mmHg
闪点:
340 °C
折射率:
1.757
蒸汽压:
6.67E-12mmHg at 25°C
存储条件/存储方法:

用铁桶内衬塑料袋包装,每桶净重50kg。贮存于通风处,防晒、防潮。

稳定性相关:

1.基本性质

深紫色针状结晶。熔点268℃。溶于乙醇、苯和硝基苯,微溶于水和热乙酸。

2.人体LD1~2g/kg。大鼠腹腔注射LD100500mg/kg。参见1,5-二氨基蒽醌。
 

其它信息:

1. 性状:深紫色结晶(在吡啶中)或紫色结晶。

2. 熔点(℃):268

3. 溶解性:溶于苯、吡啶、硝基苯、苯胺,稍溶于热醋酸、乙醇。在浓硫酸中溶液几乎无色,加硼酸后显蓝红色。

安全信息展开↓

海关代码:
2922399090
WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S22-S36/37
RTECS号:
CB6300000
安全标志:
S22:不要吸入粉尘。
:

合成路线查看所有的合成路线

  • 6408-78-2

    酸性兰25

  • ~88%

  • 128-95-0

    1,4-二氨基蒽醌

  • 6937-74-2

    1-amino-4-nitroanthracene-9,10-dione

  • ~75%

  • 128-95-0

    1,4-二氨基蒽醌

  • 6534-28-7

    1,4-二乙酰胺蒽醌

  • ~43%

  • 128-95-0

    1,4-二氨基蒽醌

化学图谱

  1. 1,4-二氨基蒽醌红外图谱(IR1)

  2. 1,4-二氨基蒽醌红外图谱(IR2)

  3. 1,4-二氨基蒽醌质谱(MS)

  4. 1,4-二氨基蒽醌核磁图(13CNMR)

  5. 1,4-二氨基蒽醌核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB6300000
CHEMICAL NAME :
Anthraquinone, 1,4-diamino-
CAS REGISTRY NUMBER :
128-95-0
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C14-H10-N2-O2
MOLECULAR WEIGHT :
238.26
WISWESSER LINE NOTATION :
L C666 BV IVJ DZ GZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5790 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Microorganism - not otherwise specified
DOSE/DURATION :
12800 ug/L
REFERENCE :
HEREAY Hereditas (Lund, Sweden). (Gjoerloffsgatan 121, S-261 34 Landskrona, Sweden) V.1- 1947- Volume(issue)/page/year: 99,209,1983 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2230 No. of Facilities: 245 (estimated) No. of Industries: 6 No. of Occupations: 12 No. of Employees: 3654 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2230 No. of Facilities: 78 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 2483 (estimated)
毒理学数据:

1、皮肤/眼睛刺激:兔子眼睛标准德雷兹染眼实验:500mg/24H对眼睛有轻微的刺激作用。

2、急性毒性:大鼠经口LD5O:5790mg/kg

大鼠经腹膜LD5O:250mg/kg

3、致突变:沙门氏菌基因突变测试系统:100ug/plate

微生物基因突变测试系统:12800ug/L

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 1,4-Diaminoanthraquinone    
    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.        : 128-95-0    
  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
    Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C14H10N2O2    
    Molecular weight        : 238,24 g/mol    
    CAS-No.        : 128-95-0    
    EC-No.        : 204-922-6    
    No components need to be disclosed according to the applicable regulations.

SECTION 4: First aid measures
  Description of first aid measures
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  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.
  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)
  Advice for firefighters
    Wear self-contained breathing apparatus for firefighting if necessary.
  Further information
    No data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapours, mist or gas.
    For personal protection see section 8.
  Environmental precautions
    No special environmental precautions required.
  Methods and materials for containment and cleaning up
    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
    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.
    Storage class (TRGS 510): Non Combustible Solids
  Specific end use(s)
    Apart 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
    General industrial hygiene practice.
  Personal protective equipment
  Eye/face protection
    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.
  Body Protection
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    No special environmental precautions required.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    Colour: dark violet
    b) Odour        No data available    
    c) Odour Threshold        No data available    
    d) pH        No data available    
    e) Melting point/freezing        Melting point/range: 265 - 269 °C    
    point
    f) Initial boiling point and No data available
    boiling range
    g) Flash point        340,00 °C - closed cup    
    h) Evaporation 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
    LD50 Oral - Rat - 5.790 mg/kg
  Skin corrosion/irritation
  Serious eye damage/eye irritation
    Eyes - Rabbit
    Result: Mild eye irritation - 24 h
  Respiratory or skin sensitisation
    No data available
  Germ cell mutagenicity
  Carcinogenicity
    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
  Specific target organ toxicity - single exposure
  Specific target organ toxicity - repeated exposure
  Aspiration hazard
  Additional Information
    RTECS: CB6300000
    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
  Mobility in soil
  Results of PBT and vPvB assessment
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
  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.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  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
  Further information
    Copyright 2014 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.

海关数据查看详细

中国海关编码:2922399090

概述:
2922399090 其他氨基醛、氨基酮及其盐(包括氨基醌及其盐,但含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary:
2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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:67.14

2、  摩尔体积(cm3/mol):163.6

3、  等张比容(90.2K):490.7

4、  表面张力(dyne/cm):80.9

5、  极化率(10-24cm3):26.61

计算化学数据


1.疏水参数计算参考值(XlogP):2.6

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:8

6.拓扑分子极性表面积86.2

7.重原子数量:18

8.表面电荷:0

9.复杂度:346

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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