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| CAS No.: | 51-75-2 |
|---|---|
| Name: | Chlormethine |
| Article Data: | 26 |
| Molecular Structure: | |
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| 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
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| Risk Codes: | R11; R20/22; R24; R34 |
| PSA: | 3.24000 |
| LogP: | 2.19780 |
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- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
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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.
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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. |