CAS 2082-66-8 2-Chlorobenzyl Thiocyanate (HCID 286723)

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Basic information

CAS: 2082-66-8
Standard SMILES: N#CSCc1ccccc1Cl
InChIKey: BEQHMRYBIXNFTP-UHFFFAOYSA-N
Molecular formula: C8H6ClNS
Average molar mass: 183.66 g/mol
Monoisotopic mass: 182.99094787

Names & identifiers

Preferred name: 2-Chlorobenzyl Thiocyanate
IUPAC: (2-chlorophenyl)methyl thiocyanate
English name: 2-Chlorobenzyl thiocyanate
Molecular formula: C8H6ClNS
Molecular weight: 183.66

Names & synonyms

2-chlorobenzyl thiocyanateDTXSID00301680RefChem:470395DTXCID90252814811-001-82082-66-8(2-chlorophenyl)methyl thiocyanateThiocyanic acid, (2-chlorophenyl)methyl esterMFCD090256712-Chlorobenzylthiocyanate{[(2-chlorophenyl)methyl]sulfanyl}carbonitrileThiocyanic Acid 2-Chlorobenzyl Ester

Show more names

2-Chlorobenzyl Thiocyanate >Thiocyanic Acid 2-Chlorobenzyl Ester

Thiocyanic acid, o-chlorobenzyl esterNSC145803SCHEMBL2935836SCHEMBL29704539BEQHMRYBIXNFTP-UHFFFAOYSA-N1-chloro-2-(thiocyanatomethyl)benzeneAKOS006290552NSC 145803

Database identifiers

CAS: 2082-66-8
PubChem CID: 286723
DTXSID: DTXSID00301680
EC Number: 811-001-8
Nikkaji: J3.041.445D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 140 °C/5mmHg · 140°C/5mmHg(lit.)
Density: 1.28 · 1.28
refractive index: 1.588 to · 1.5880 to 1.5920
form: clear liquid
color: Colorless to Light yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H332-H315-H319-H335
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405
HS Code: 2930.9 · 2930.90.4950
HazardClass: IRRITANT-HARMFUL

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H332 (100%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2930.90.4950
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT-HARMFUL
Hazard statements: H302+H332-H315-H319-H335
Precautionary statements: P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405