Tris(2-chloroethyl)amine hydrochloride

HCID 61220

Notes Reactions

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Basic information

CAS: 817-09-4
Standard SMILES: Cl.ClCCN(CCCl)CCCl
InChIKey: VEAUDLLZYJVHRI-UHFFFAOYSA-N
Molecular formula: C6H13Cl4N
Average molar mass: 241 g/mol
Monoisotopic mass: 238.98021014

Overview

Trichlormethine is an organic molecular entity.

Names & identifiers

Preferred name: Tris(2-chloroethyl)amine hydrochloride
IUPAC: 2-chloro-N,N-bis(2-chloroethyl)ethanamine;hydrochloride
English name: Tris(2-chloroethyl)amine hydrochloride
Molecular formula: C6H13Cl4N
Molecular weight: 240.99

Names & synonyms

817-09-4Tris(2-chloroethyl)amine hydrochlorideTrichlormethine hydrochlorideTrimustine hydrochlorideNSC-3021100238AP6R9NSC-759837RefChem:1100524212-442-3HN3 hydrochlorideTrichlormethinSinalost

Show more names

trimustiner-47sk-100

TrillekaminTrimitanLekamintris-(2-chloroethyl)-amine hydrochlorideTrichlormethine HCLHn3 hclTrichlormethinium chlorideTris-N-lost

Database identifiers

CAS: 817-09-4
PubChem CID: 61220
DTXSID: DTXSID6074835
ChEMBL: CHEMBL1397643
ChEBI: CHEBI:82375
UNII: 00238AP6R9
EC Number: 212-442-3

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 55.7

Physicochemical properties

Melting point: 127 · 127-130 °C(lit.)
storage temp.: Poison room
Merck: 13 · 13,9698
FDA UNII: 238 AP6R9 · 00238AP6R9
IARC: 2 B · 2B (Vol. Sup 7, 50) 1990
EPA Substance Registry System: Trichlormethine (817-09-4)
Symbol(GHS): 5 · GHS05,GHS06,GHS08
Signal word: Danger
Hazard statements: 300 · H300-H314-H351
Precautionary statements: 201 · P201-P260-P280-P301+P310+P330-P303+P361+P353-P305+P351+P338
Hazard Codes: T+,Xi
Risk Statements: 28 · 28-34-40
Safety Statements: 26 · 26-28-36/37/39-45
RIDADR: 2928 · UN 2928 6.1/PG 1
WGK Germany: 3 · 3
RTECS: 2800000 · YE2800000
HazardClass: 6.1 · 6.1(a)
PackingGroup: II
HS Code: 29211950 · 29211950
Toxicity: 50 oral · LD50 oral in mouse: 1100ug/kg

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationHazard Traits - Carcinogenicity

Hazard Classes and CategoriesAcute Tox. 2 (100%)

Toxicology

Carcinogen Classification · 5 items

Trichlormethine (Trimustine hydrochloride)

Group 2B: Possibly carcinogenic to humans

Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)

1990

1989

Safety data

wgk: 3
rtecs: YE2800000
ridadr: UN 2928 6.1/PG 1
hs_code: 29211950
Toxicity: LD50 oral in mouse: 1100ug/kg
risk_code: 28-34-40
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08
hazard_code: T+,Xi
safety_code: 26-28-36/37/39-45
hazard_class: 6.1(a)
packing_group: II
Hazard statements: H300-H314-H351
Precautionary statements: P201-P260-P280-P301+P310+P330-P303+P361+P353-P305+P351+P338