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Substance Name: Trichlormethine [INN:BAN]
RN: 555-77-1
UNII: 66WBM7N0NM
InChIKey: FDAYLTPAFBGXAB-UHFFFAOYSA-N
Molecular Formula
- C6-H12-Cl3-N
Molecular Weight
- 204.527
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- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Agricultural Chemical
- Blister Agent
- Chemical Warfare Agents
- Drug / Therapeutic Agent
- Insect Attractant, Repellent and Chemosterilant
- Mutation Data
- Skin / Eye Irritant
- Tumor Data
Superlist Classification Code
- Threshold Planning Quantity (TPQ) = 100 lb
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Names and Synonyms
Name of Substance
- 2,2',2''-Trichlorotriethylamine
- Trichlormethine [INN:BAN]
- Tris(2-chloroethyl)amine
Synonyms
- 2,2',2''-Trichlorotriethylamine
- 2-Chloro-N,N-bis(2-chloroethyl)ethanamine
- 4-04-00-00447 (Beilstein Handbook Reference)
- A 8729
- Agent HN3
- AI3-16198
- BRN 1739647
- CCRIS 7606
- Ethanamine, 2-chloro-N,N-bis(2-chloroethyl)-
- HN-3
- HN3
- HSDB 6395
- Nitrogen mustard (HN-3)
- NSC 30211
- Sinalost base
- SK 100
- TL 145
- Tri-(2-chloroethyl)amine
- Trichlormethine
- Trichlormethinum
- Trichlormethinum [INN-Latin]
- Triclormetina
- Triclormetina [INN-Spanish]
- Triethylamine, 2,2',2''-trichloro-
- Trimitan base
- Trimustine
- Tris(2-chloroethyl)amine
- Tris(beta-chloroethyl)amine
- TS 160
- UN 2810
- UNII-66WBM7N0NM
Systematic Names
- 2,2',2''-Trichlorotriethylamine
- 2-Chloro-N,N-bis(2-chloroethyl)ethanamine
- Ethanamine, 2-chloro-N,N-bis(2-chloroethyl)-
- Triethylamine, 2,2',2''-trichloro-
- Tris(2-chloroethyl)amine
Superlist Name
- Tris(2-chloroethyl)amine
Registry Numbers
CAS Registry Number
- 555-77-1
FDA UNII
- 66WBM7N0NM
Related Registry Numbers
- 6138-32-5 (monopicrate)
- 817-09-4 (hydrochloride)
System Generated Number
- 0000555771
Structure Descriptors
InChI
1S/C6H12Cl3N/c7-1-4-10(5-2-8)6-3-9/h1-6H2InChIKey
FDAYLTPAFBGXAB-UHFFFAOYSA-NSmiles
N(CCCl)Toxicity
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. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -4.00E+00 | deg C | EXP | |
pKa Dissociation Constant | 4.64 | (none) | 0 | EXP |
log P (octanol-water) | 2.270 | (none) | EST | |
Water Solubility | 1600 | mg/L | 25 | EXP |
Vapor Pressure | 0.011 | mm Hg | 25 | EXP |
Henry's Law Constant | 1.85E-06 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.07E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.