((4-Amino-3-chlorophenyl)sulfanyl)formonitrile

HCID 591125

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Basic information

CAS: 3226-47-9
Standard SMILES: N#CSc1ccc(N)c(Cl)c1
InChIKey: TZBOJMWJGHBCEV-UHFFFAOYSA-N
Molecular formula: C7H5ClN2S
Average molar mass: 184.65 g/mol
Monoisotopic mass: 183.986197

Names & identifiers

Preferred name: ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile
IUPAC: (4-amino-3-chlorophenyl) thiocyanate
English name: 2-chloro-4-thiocyanato-aniline
Molecular formula: C7H5ClN2S
Molecular weight: 184.65

Names & synonyms

[(4-amino-3-chlorophenyl)sulfanyl]formonitrile((4-Amino-3-chlorophenyl)sulfanyl)formonitrileRefChem:390140850-046-82-CHLORO-4-THIOCYANATOANILINE3226-47-94-Amino-3-chlorophenyl thiocyanate(4-amino-3-chlorophenyl) thiocyanate2-chloro-4-thiocyanato-anilineMFCD04614735Thiocyanic acid,4-amino-3-chlorophenyl esterThiocyanic acid, 4-amino-3-chlorophenyl ester

Show more names

2-Chloro-4-thiocyanato-phenylaMineThiocyanic acid, 4-amino-3-chlorophenyl ester (7CI, 8CI, 9CI, ACI)

2-chloro-4-thiocyanoanilineSCHEMBL7979164DTXSID00343641ALBB-024396STK665828AKOS005536106(4-amino-3-chloro-phenyl) thiocyanate(4-amino-3-chlorophenyl)thiocarbonitrile

Database identifiers

CAS: 3226-47-9
PubChem CID: 591125
DTXSID: DTXSID00343641
EC Number: 850-046-8
Nikkaji: J1.398.182E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 75.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 177

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H312-H302-H335-H332
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2930909899
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H312-H302-H335-H332
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501