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Substance Name: Nitrogen mustard (HN-1)
RN: 538-07-8
UNII: B75ZZA7WIG
InChIKey: UQZPGHOJMQTOHB-UHFFFAOYSA-N

Molecular Formula

  • C6-H13-Cl2-N

Molecular Weight

  • 170.082
 

Classification Codes

Classification Codes

  • Blister Agent
  • Drug / Therapeutic Agent

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 500 lb
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Names and Synonyms

Results Name

  • Nitrogen mustard (HN-1)

Name of Substance

  • Bis(2-chloroethyl)ethylamine
  • Ethylbis(2-chloroethyl)amine

Synonyms

  • 2,2'-Dichlorotriethylamine
  • 2-Chloro-N-(2-chloroethyl)-N-ethylethanamine
  • 3-04-00-00241 (Beilstein Handbook Reference)
  • AI3-16200
  • Bis(2-chloroethyl)ethylamine
  • BRN 1735676
  • Ethanamine, 2-chloro-N-(2-chloroethyl)-N-ethyl-
  • Ethyl-S
  • Ethylbis(2-chloroethyl)amine
  • Ethylbis(beta-chloroethyl)amine
  • HN 1
  • HN-1
  • HN-1 cpd
  • HN1
  • HSDB 6392
  • Nitrogen mustard (HN-1)
  • TL 1149
  • TL 329
  • Triethylamine, 2,2'-dichloro-
  • UN 2810
  • UNII-B75ZZA7WIG

Systematic Names

  • Ethanamine, 2-chloro-N-(2-chloroethyl)-N-ethyl-
  • Triethylamine, 2,2'-dichloro-

Superlist Name

  • Ethylbis(2-chloroethyl)amine

Registry Numbers

CAS Registry Number

  • 538-07-8

FDA UNII

  • B75ZZA7WIG

System Generated Number

  • 0000538078

Structure Descriptors

InChI

1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3

InChIKey

UQZPGHOJMQTOHB-UHFFFAOYSA-N

Smiles

N(CCCl)(CCCl)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo skin 40mg/kg (40mg/kg)   National Technical Information Service. Vol. PB158-507,
mouse LD50 intraperitoneal 1030ug/kg (1.03mg/kg)   National Technical Information Service. Vol. PB158-507,
mouse LD50 skin 13mg/kg (13mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 224, 1947.
mouse LD50 subcutaneous 1100ug/kg (1.1mg/kg)   National Technical Information Service. Vol. PB158-507,
rabbit LD50 intravenous 2mg/kg (2mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. PB158-507,
rabbit LD50 skin 15mg/kg (15mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 224, 1947.
rat LD50 intravenous 500ug/kg (0.5mg/kg)   National Technical Information Service. Vol. PB158-507,
rat LD50 oral 2500ug/kg (2.5mg/kg)   National Technical Information Service. Vol. PB158-507,
rat LD50 skin 17mg/kg (17mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 224, 1947.
rat LD50 unreported 500ug/kg (0.5mg/kg)   Pharmaceutical Bulletin. Vol. 1, Pg. 297, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.40E+01 deg C   EXP
Boiling Point 194 dec deg C   EXP
pKa Dissociation Constant 6.57 (none)   EXP
log P (octanol-water) 2.020 (none)   EST
Water Solubility 160 mg/L 25 EXP
Vapor Pressure 0.25 mm Hg 25 EXP
Henry's Law Constant 3.36E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.59E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.