3-(Bromomethyl)thiophene

HCID 520703

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Basic information

CAS: 34846-44-1
Standard SMILES: BrCc1ccsc1
InChIKey: KBWHYRUAHXHHFO-UHFFFAOYSA-N
Molecular formula: C5H5BrS
Average molar mass: 177.06 g/mol
Monoisotopic mass: 175.92953326

Names & identifiers

Preferred name: 3-(Bromomethyl)thiophene
IUPAC: 3-(bromomethyl)thiophene
English name: 3-Bromomethylthiophene
Molecular formula: C5H5BrS
Molecular weight: 177.06

Names & synonyms

3-(Bromomethyl)thiophene34846-44-1Thiophene, 3-(bromomethyl)-3-Thienylmethyl bromideRX786XKM7JEINECS 252-247-0DTXSID20188399RefChem:92572DTXCID00110890252-247-03-Bromomethylthiophene3-Bromomethyl-thiophene

Show more names

Tioconazole Impurity 12Thien-3-ylmethyl bromide3-Bromomethylthiophene ,97%3-Bromomethylthiophene ISO 9001：2015 REACH

MFCD03840497UNII-RX786XKM7J3-Thenyl bromide3-Thenylbromide3-brommethyl-thiophen3(bromomethyl)thiophene3-bromomethyl thiophene3-(bromomethyl)-thiophene

Database identifiers

CAS: 34846-44-1
PubChem CID: 520703
DTXSID: DTXSID20188399
UNII: RX786XKM7J
EC Number: 252-247-0
Nikkaji: J289.850K

Properties

Computed structural properties

XLogP: 2.2
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

Melting point: -9 °C · -9 °C
Boiling point: 85 · 85-88℃/6Torr
Density: 1.616 · 1.616
refractive index: 1.603 · 1.6030
form: Liquid
color: Pale brown
InChI: 1S/C5H5BrS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKey: KBWHYRUAHXHHFO-UHFFFAOYSA-N
SMILES: BrCC1=CSC=C1
CAS DataBase Reference: 34846 · 34846-44-1(CAS DataBase Reference)
FDA UNII: 786 XKM7J · RX786XKM7J
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 24 · 24/25-36/37/39
WGK Germany: 3 · WGK 3
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (20%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.