2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide

物化性质

外观与性状：

白色结晶粉末

密度：

1.33 g/cm3

熔点：

41-45ºC

沸点：

336.1ºC at 760 mmHg

闪点：

157.1ºC

水溶解性：

Soluble. 1-5 g/100 mL at 23℃

安全信息

外观与性状：

白色结晶粉末

密度：

1.33 g/cm3

熔点：

41-45ºC

沸点：

336.1ºC at 760 mmHg

闪点：

157.1ºC

水溶解性：

Soluble. 1-5 g/100 mL at 23℃

MSDS

Name:	Cyclophosphamide monohydrate 97% Material Safety Data Sheet
Synonym:	N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide monohydrate; 2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazophosphorine 2-oxide monohydrate; Cancer research tool
CAS:	50-18-0

Section 1 - Chemical Product   MSDS Name:Cyclophosphamide monohydrate 97% Material Safety Data Sheet
Synonym:N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide monohydrate; 2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazophosphorine 2-oxide monohydrate; Cancer research tool
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
50-18-0	Cyclophosphamide monohydrate	97	unlisted

Hazard Symbols: T
Risk Phrases: 25 41 45 46 48/23/24/25 61
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic if swallowed. Risk of serious damage to eyes. May cause cancer. May cause heritable genetic damage. Toxic : danger of serious damage to health by prolonged exposure through inhalation, contact with skin and if swallowed. May cause harm to the unborn child.
Potential Health Effects
Eye:
Causes severe eye irritation and possible injury.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. Poison by ingestion.
May cause nausea and vomiting.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
May cause nausea and possible vomiting.
Chronic:
May cause cancer in humans. May cause reproductive and fetal effects.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Will burn if involved in a fire. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Take precautionary measures against static discharges. Do not breathe dust. Use only with adequate ventilation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep under an argon blanket.
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# 50-18-0: CAS# 6055-19-2: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: white to almost white
Odor: odorless
pH: 4 - 6 (2% aq soln)
Vapor Pressure: 0.000033 HPa @ 20 deg C
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 49 - 53 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 90 deg C
Solubility in water: 40 g/l water
Specific Gravity/Density:
Molecular Formula: C7H15Cl2N2O2P.H2O
Molecular Weight: 279.09
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Exothermic decomposition at 90C (Method VDI 2263).
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, phosphine, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 50-18-0: RP5950000 CAS# 6055-19-2: RP6157750 LD50/LC50:
CAS# 50-18-0: Oral, mouse: LD50 = 137 mg/kg; Oral, rat: LD50 = 100 mg/kg.
CAS# 6055-19-2: Oral, mouse: LD50 = 350 mg/kg; Oral, rat: LD50 = 94 mg/kg.
Primary irritative effect to the eyes: Corrosive, rabbit, OECD 405.
Carcinogenicity:
Cyclophosphamide (anhydrous form) - California: carcinogen, initial date 2/27/87 NTP: Known carcinogen IARC: Group 1 carcinogen Cyclophosphamide monohydrate - California: carcinogen, initial date 2/27/87 IARC: Group 1 carcinogen Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
  Other No information available.
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
USA RQ: CAS# 50-18-0: 10 lb final RQ; 4.54 kg final RQ
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 45 May cause cancer.
R 46 May cause heritable genetic damage.
R 61 May cause harm to the unborn child.
R 25 Toxic if swallowed.
R 41 Risk of serious damage to eyes.
R 48/23/24/25 Toxic : danger of serious damage to
health by prolonged exposure through inhalation,
contact with skin and if swallowed.
Safety Phrases:
S 53 Avoid exposure - obtain special instructions
before use.
S 15 Keep away from heat.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 50-18-0: No information available.
CAS# 6055-19-2: 3
Canada
CAS# 50-18-0 is listed on Canada's DSL List.
CAS# 50-18-0 is not listed on Canada's Ingredient Disclosure List.
CAS# 6055-19-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50-18-0 is not listed on the TSCA inventory.
It is for research and development use only.
CAS# 6055-19-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2924299090

概述：

2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 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, 包装

摘要/Summary：

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:5

5.互变异构体数量:2

6.拓扑分子极性表面积:41.6

7.重原子数量:14

8.表面电荷:0

9.复杂度:212

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:1

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