Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

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
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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.