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Trichloronitrosomethane

HCID 77305
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Basic information

CAS
3711-49-7
Standard SMILES
O=NC(Cl)(Cl)Cl
InChIKey
WXWITNRAXGTELB-UHFFFAOYSA-N
Molecular formula
CCl3NO
Average molar mass
148.37 g/mol
Monoisotopic mass
146.904547

Overview

Trichloronitroso-methane is a lachrymatory agent. It produces immediate pain to the eyes and irritate mucous membranes. This compound belongs to the class of organic compounds known as c-nitroso compounds. These are nitroso compounds with he general formula RN=O, where R is an organic group.

Names & identifiers

Preferred name
Trichloronitrosomethane
IUPAC
trichloro(nitroso)methane
English name
Nitrosotrichloromethane
Molecular formula
CCl3NO
Molecular weight
148.38

Names & synonyms

Methane, trichloronitroso-Trichloronitrosomethane3711-49-7DTXSID80190610RefChem:1100340DTXCID20113101Chloroform, nitroso-trichloronitroso-methanetrichloro(nitroso)methaneTL 358NitrosotrichloromethaneSCHEMBL7746277
Show more names
TL-358
NS00126512

Database identifiers

CAS
3711-49-7
PubChem CID
77305
DTXSID
DTXSID80190610
Nikkaji
J41.735A

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
29.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
6
Formal charge
0
Complexity
56.3

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point
59.57 °C · 59.57°C (rough estimate)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Toxicology

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

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