2-(Chloromethyl)thiophene

HCID 69830CAS 765-50-4

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Basic information

Standard SMILES: ClCc1cccs1
InChIKey: FUOHKPSBGLXIRL-UHFFFAOYSA-N
Molecular formula: C5H5ClS
Average molar mass: 132.61 g/mol
Monoisotopic mass: 131.98004884

Names & identifiers

Preferred name: 2-(Chloromethyl)thiophene
IUPAC: 2-(chloromethyl)thiophene
English name: 2-(Chloromethyl)thiophene
Molecular formula: C5H5ClS
Molecular weight: 132.61

Names & synonyms

2-(Chloromethyl)thiophene765-50-4Thiophene, 2-(chloromethyl)-2-(Chloromethyl)-thiopheneEINECS 212-150-67QQ8C6HMR7DTXSID10227307RefChem:84645DTXCID70149798212-150-6FUOHKPSBGLXIRL-UHFFFAOYSA-N2-chloromethylThiophene

Show more names

Thenyl chloride2-(Chloromethyl)thiophene###765-50-42-(Chloromethyl)thiophene ISO 9001：2015 REACH2-(Chloromethyl)thiophene, 33% w/w solution in toluene

2-chloromethyl thiopheneMFCD007979722-Thenyl chloride2-thienylmethylchloride2-chloromethyl-thiophene2-thienylmethyl chlorideUNII-7QQ8C6HMR7SCHEMBL507333

Database identifiers

CAS: 765-50-4
PubChem CID: 69830
DTXSID: DTXSID10227307
UNII: 7QQ8C6HMR7
EC Number: 212-150-6
Nikkaji: J25.379K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Boiling point: 80 · 80-81 °C(Press: 18 Torr)
Density: 1.243 · 1.243±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Amber Vial, -20°C Freezer
solubility: Acetonitrile, Chloroform
form: Oil
color: Colourless
CAS DataBase Reference: 765 · 765-50-4(CAS DataBase Reference)
FDA UNII: 7 QQ8C6HMR7 · 7QQ8C6HMR7
NIST Chemistry Reference: 2 · Thiophene, 2-(chloromethyl)-(765-50-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
RIDADR: 1993 · 1993
HazardClass: 3 · 3
PackingGroup: Ⅲ
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.