培磷酰胺

培磷酰胺 基本信息
CAS号 39800-16-3 分子式 C7H15Cl2N2O4P
分子量 293.08500 精确质量 　292.01500
PSA 　80.84000 LogP 　2.02850
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等价的CAS号：

39800-16-3,56922-83-9,61903-31-9,62435-42-1,146566-40-7
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目录
基本信息 物化性质 合成路线 毒性 MSDS 上下游

基本信息 展开↓

CAS号：
39800-16-3
3D弹球模型：
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分子式：
C7H15Cl2N2O4P
分子量：
293.08500
中文名称：
培磷酰胺
英文名称：
4-hydroperoxycyclophosphamide
中文别名：
培磷酰胺;
4-过氧羟基环磷酰胺
英文别名：
4-hydroperoxycyclophosphamide;
PERFOSFAMIDE;
ASTA 6496;
4-Hydroperoxycyclofosfamide;
4-Hydroperoxycyclophosphamide;
4-OOH Cyclophosphamide;
N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;
Perfosphamide;
4-Hydroperoxy-cyclophosphamid
精确分子量/精确质量：
292.01500
极性分子表面积/PSA：
80.84000
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。
InChI：
The Key: VPAWVRUHMJVRHU-VGDKGRGNSA-N

物化性质展开↓

密度：
1.465g/cm3
熔点：
100-103ºC
沸点：
419.946ºC at 760 mmHg
闪点：
207.776ºC
折射率：
1.525

合成路线查看所有的合成路线

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    环磷酰胺

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  • 39800-16-3

    培磷酰胺

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RP5900000
CHEMICAL NAME :
2H-1,3,2-Oxazophosphorine, 2-(bis(2-chloroethyl)amino)-4-hydroperoxytetrahydro-, 2-oxide
CAS REGISTRY NUMBER :
39800-16-3
LAST UPDATED :
199612
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C7-H15-Cl2-N2-O4-P
MOLECULAR WEIGHT :
293.11
WISWESSER LINE NOTATION :
T6MPOTJ BN2G2G FOQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
76040 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
5 mg/L
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 35,1163,1986

MSDS 展开↓

Name: 4-Hydroxyperoxycyclophophamide Material Safety Data Sheet
Synonym: None Known
CAS: 39800-16-3
Section 1 - Chemical Product   MSDS Name:4-Hydroxyperoxycyclophophamide Material Safety Data Sheet
Synonym:None Known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
39800-16-3 4-Hydroxyperoxycyclophophamide ca. 100 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 39800-16-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H15Cl2N2O4P
Molecular Weight: 293.09
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 39800-16-3: RP5900000 LD50/LC50:
Not available.
Carcinogenicity:
4-Hydroxyperoxycyclophophamide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 39800-16-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39800-16-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39800-16-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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