Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products > 51 > 

51-75-2

Products Categories

Basic Information
CAS No.: 51-75-2
Name: Chlormethine
Article Data: 26
Molecular Structure:
Molecular Structure of 51-75-2 (Chlormethine)
Formula: C5H11Cl2N
Molecular Weight: 156.055
Synonyms: Diethylamine,2,2'-dichloro-N-methyl- (8CI);2,2'-Dichloro-N-methyldiethylamine;Bis(2-chloroethyl)methylamine;Bis(b-chloroethyl)methylamine;Chlorethazine;Chlormethine;Cloramin;Di(2-chloroethyl)methylamine;MBA;Mechlorethamine;Methyl-b,b-dichlorodiethylamine;Methylbis(2-chloroethyl)amine;Methylbis(b-chloroethyl)amine;Methyldi(2-chloroethyl)amine;Mustargen;Mustine;Mustine Note;N,N-Bis(2-chloroethyl)methylamine;N,N-Di(chloroethyl)methylamine;N-Methyl-2,2'-dichlorodiethylamine;N-Methylbis(2-chloroethyl)amine;N-Methylbis(b-chloroethyl)amine;NSC 128663;Nitrogen mustard (HN 2);
EINECS: 200-120-5
Density: 1.106 g/cm3
Melting Point: -60°
Boiling Point: 110.3 °C at 760 mmHg
Flash Point: 20.5 °C
Solubility: 8.6 g/100mL
Appearance: mobile liquid
Hazard Symbols: F,T
Risk Codes: R11; R20/22; R24; R34
PSA: 3.24000
LogP: 2.19780
  • Display:default sort

    New supplier

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List. Community Right-To-Know List.

Standards and Recommendations

DFG MAK: Human Carcinogen

Specification

The IUPAC name of Bis(β-chloroethyl)methylamine is 2-chloro-N-(2-chloroethyl)-N-methylethanamine. With the CAS registry number 51-75-2, it is also named as Mechlorethamine. The product's classification codes are Alkylating agents; Antineoplastic Agents; Antineoplastic Agents, Alkylating; Blister Agent; Chemical Warfare Agents; Drug / Therapeutic Agent; Human Data; Irritants; Mutation Data; Noxae; Poisons; Reproductive Effect; Riot Control Agents, Chemical; Skin / Eye Irritant; Tumor Data. Besides, it is mobile liquid with faint odor of herring, which may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. In addition, its molecular formula is C5H11Cl2N and molecular weight is 156.05.

The other characteristics of this product can be summarized as: (1)EINECS: 200-120-5; (2)ACD/LogP: 0.91; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.04; (5)ACD/LogD (pH 7.4): 0.87; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 2.63; (8)ACD/KOC (pH 5.5): 8.38; (9)ACD/KOC (pH 7.4): 67.71; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 4; (13) Polar Surface Area: 3.24 Å2; (14)Index of Refraction: 1.459; (15)Molar Refractivity: 38.63 cm3; (16)Molar Volume: 141 cm3; (17)Polarizability: 15.31×10-24cm3; (18)Surface Tension: 31.2 dyne/cm; (19)Density: 1.106 g/cm3; (20)Flash Point: 20.5 °C; (21)Enthalpy of Vaporization: 34.9 kJ/mol; (22)Boiling Point: 110.3 °C at 760 mmHg; (23)Vapour Pressure: 23.9 mmHg at 25 °C.

Preparation of Bis(β-chloroethyl)methylamine: frist, you can methylate Diethanolamine by the use of Formic acid and Formaldehyde. And then you can obtain this chemical by the chlorination with Thionyl chloride.

Uses of Bis(β-chloroethyl)methylamine: this chemical is a form of nitrogen mustard gas and therefore a powerful vesicant. Additionally, it can be used for the treatment of prostate cancer. It is also used in chemical warfare. And it can react with isopropylamine to get 1-isopropyl-4-methyl-piperazine.



The yield is 75 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCCN(CCCl)C
(2)InChI: InChI=1/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
(3)InChIKey: HAWPXGHAZFHHAD-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 290mg/m3/10M (290mg/m3) BEHAVIORAL: IRRITABILITY

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. APR1942,
chicken LD50 intravenous 10mg/kg (10mg/kg)   National Technical Information Service. Vol. PB158-507,
dog LD65 intravenous 1mg/kg (1mg/kg)   National Technical Information Service. Vol. PB158-507,
domestic animals - goat/sheep LD50 skin 20mg/kg (20mg/kg)   National Technical Information Service. Vol. PB158-507,
domestic animals - goat/sheep LDLo oral 100mg/kg (100mg/kg)   National Technical Information Service. Vol. PB158-507,
guinea pig LD50 oral 12mg/kg (12mg/kg)   National Technical Information Service. Vol. PB158-507,
guinea pig LD50 subcutaneous 2mg/kg (2mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA National Technical Information Service. Vol. PB158-507,
monkey LDLo skin 50mg/kg (50mg/kg)   National Technical Information Service. Vol. PB158-507,
mouse LD50 intraperitoneal 2400ug/kg (2.4mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1921, 1972.
mouse LD50 intravenous 2mg/kg (2mg/kg)   National Technical Information Service. Vol. PB158-507,
mouse LD50 oral 10mg/kg (10mg/kg)   National Technical Information Service. Vol. PB158-507,
mouse LD50 skin 29mg/kg (29mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 224, 1947.
mouse LD50 subcutaneous 2600ug/kg (2.6mg/kg)   National Technical Information Service. Vol. PB158-507,
pigeon LDLo intravenous 15mg/kg (15mg/kg)   National Technical Information Service. Vol. PB158-507,
rabbit LD50 intravenous 1600ug/kg (1.6mg/kg)   National Technical Information Service. Vol. PB158-507,
rabbit LD50 oral 5mg/kg (5mg/kg)   National Technical Information Service. Vol. PB158-507,
rabbit LD50 skin 12mg/kg (12mg/kg)   National Technical Information Service. Vol. PB158-507,
rabbit LD50 subcutaneous 3mg/kg (3mg/kg)   National Technical Information Service. Vol. PB158-507,
rat LD50 intracrebral 125ug/kg (0.125mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 18, Pg. 760, 1966.
rat LD50 intraperitoneal 860ug/kg (0.86mg/kg)   Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 1, Pg. 154, 1968.
rat LD50 intravenous 1100ug/kg (1.1mg/kg)   National Technical Information Service. Vol. PB158-507,
rat LD50 oral 10mg/kg (10mg/kg)   National Technical Information Service. Vol. PB158-507,
rat LD50 skin 12mg/kg (12mg/kg)   Fundamental and Applied Toxicology. Vol. 5, Pg. S160, 1985.
rat LD50 subcutaneous 1200ug/kg (1.2mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 83, Pg. 376, 1953.
rat LD50 unreported 1700ug/kg (1.7mg/kg)   Pharmaceutical Bulletin. Vol. 1, Pg. 297, 1953.