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| CAS No.: | 555-77-1 |
|---|---|
| Name: | TRIS-(2-CHLOROETHYL)-AMINE |
| Article Data: | 24 |
| Molecular Structure: | |
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|
|
| Formula: | C6H12 Cl3 N |
| Molecular Weight: | 204.527 |
| Synonyms: | Triethylamine,2,2',2''-trichloro- (8CI); 2,2',2''-Trichlorotriethylamine; HN 3; HN 3(cytostatic); Lekamin; NSC 260424; Nitrogen mustard (HN 3); SK 100; TS 160;Tri-2-chloroethylamine; Trichlormethine; Tris(2-chloroethyl)amine; Tris(b-chloroethyl)amine |
| Density: | 1.21g/cm3 |
| Melting Point: | -4° |
| Boiling Point: | 156.2°Cat760mmHg |
| Flash Point: | 48.3°C |
| Safety: | Experimental poison by ingestion, inhalation, skin contact, subcutaneous, and intravenous routes. Moderately toxic to humans by inhalation. Questionable carcinogen with experimental carcinogenic data. An eye irritant. Human mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also AMINES. |
| PSA: | 3.24000 |
| LogP: | 2.00480 |
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Chemistry
IUPAC Name: 2-Chloro-N,N-bis(2-chloroethyl)ethanamine
CAS: 555-77-1
Following is the Molecular Structure of Tris(2-chloroethyl)amine (555-77-1):
SMILES: ClCCN(CCCl)CCCl
InChI: InChI=1/C6H12Cl3N/c7-1-4-10(5-2-8)6-3-9/h1-6H2
InChIKey: FDAYLTPAFBGXAB-UHFFFAOYAC
Std.InChI: InChI=1S/C6H12Cl3N/c7-1-4-10(5-2-8)6-3-9/h1-6H2
Std.InChIKey: FDAYLTPAFBGXAB-UHFFFAOYSA-N
Molecular Formula: C6H12Cl3N
Molecular Weight: 204.53
Boiling Point: 156.2℃ at 760mmHg
Flash Point: 48.3℃
Molar Volume: 168.9cm3
Density: 1.21g/cm3
Index of Refraction: 1.481
Molar Refractivity: 48.11cm3
Surface Tension: 35.2dyne/cm
Polarizability: 19.07 10-24cm3
Enthalpy of Vaporization: 39.29kJ/mol
Vapour Pressure: 2.92mmHg at 25℃
Uses
Tris(2-chloroethyl)amine (555-77-1) can be used as a delayed-action casualty military agent.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 31600ug/kg (31.6mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
| cat | LC50 | inhalation | 80mg/m3/10M (80mg/m3) | National Technical Information Service. Vol. PB158-508, | |
| dog | LC50 | inhalation | 100mg/m3/10M (100mg/m3) | National Technical Information Service. Vol. PB158-508, | |
| dog | LD50 | skin | 1mg/kg (1mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 224, 1947. | |
| dog | LD50 | subcutaneous | 20mg/kg (20mg/kg) | National Technical Information Service. Vol. PB158-507, | |
| dog | LDLo | 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, | |
| guinea pig | LC50 | inhalation | > 200mg/m3/10M (200mg/m3) | National Technical Information Service. Vol. PB158-508, | |
| guinea pig | LD50 | skin | 20mg/kg (20mg/kg) | National Technical Information Service. Vol. PB158-507, | |
| guinea pig | LD50 | subcutaneous | 7mg/kg (7mg/kg) | National Technical Information Service. Vol. PB158-507, | |
| mouse | LC50 | inhalation | 120mg/m3/10M (120mg/m3) | National Technical Information Service. Vol. PB158-508, | |
| mouse | LD50 | intravenous | 19500ug/kg (19.5mg/kg) | Cesko-Slovenska Farmacie. Vol. 15, Pg. 455, 1966. | |
| mouse | LD50 | skin | 7mg/kg (7mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 224, 1947. | |
| mouse | LD50 | subcutaneous | 6900ug/kg (6.9mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | National Technical Information Service. Vol. PB158-507, |
| quail | LD50 | oral | 133mg/kg (133mg/kg) | Journal of Reproduction and Fertility. Vol. 48, Pg. 371, 1976. | |
| rabbit | LC50 | inhalation | 140mg/m3/10M (140mg/m3) | National Technical Information Service. Vol. PB158-508, | |
| rabbit | LD50 | skin | 5mg/kg (5mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | National Technical Information Service. Vol. PB158-507, |
| rabbit | LD50 | subcutaneous | 2mg/kg (2mg/kg) | National Technical Information Service. Vol. PB158-507, | |
| rat | LC50 | inhalation | 200mg/m3/10M (200mg/m3) | National Technical Information Service. Vol. PB158-508, | |
| rat | LD50 | oral | 5mg/kg (5mg/kg) | National Technical Information Service. Vol. PB158-507, | |
| rat | LD50 | skin | 2mg/kg (2mg/kg) | National Technical Information Service. Vol. PB158-507, | |
| rat | LD50 | subcutaneous | 2mg/kg (2mg/kg) | National Technical Information Service. Vol. PB158-507, | |
| rat | LD50 | unreported | 2500ug/kg (2.5mg/kg) | Pharmaceutical Bulletin. Vol. 1, Pg. 297, 1953. |
Consensus Reports
EPA Extremely Hazardous Substances List. EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Safety Profile
RIDADR: 2810
HazardClass: 6.1(a)
PackingGroup: I
Experimental poison by ingestion, inhalation, skin contact, subcutaneous, and intravenous routes. Moderately toxic to humans by inhalation. Questionable carcinogen with experimental carcinogenic data. An eye irritant. Human mutation data reported.
Specification
Tris(2-chloroethyl)amine (555-77-1) also can be called for 2,2',2''-Trichlorotriethylamine ; 2,2',2-Trichlorotriethylamine ; 2,2',2"-Trichloro-triethylamin ; 2,2',2"-Trichlorotriethylamine ; 2,2',2''-Trichloro-triethylamin ; 2,2',2''-Trichlorotriethylamine ; 2-Chloro-n,n-bis(2-chloroethyl)-ethanamin ; 2-Chloro-N,N-bis(2-chloroethyl)ethanamine . Tris(2-chloroethyl)amine (555-77-1) is a liquid with faint odor of fish and soap,no odor when it is pure.When Tris(2-chloroethyl)amine (555-77-1) dissolved in water, it is a strong base; reacts violently with strong oxidants and acids;attacks Copper and Copper compounds.When heated to decomposition it emits very toxic fumes of Cl− and NOx .Be attention of this chemical is highly toxic.