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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
 

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/h1-6H2

InChIKey

FDAYLTPAFBGXAB-UHFFFAOYSA-N

Smiles

N(CCCl)(CCCl)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.