CAS 4915-06-4 5-Bromofuran-2-carbonitrile (HCID 708670)

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Basic information

CAS: 4915-06-4
Standard SMILES: N#Cc1ccc(Br)o1
InChIKey: VWVGOXGBMHAFFK-UHFFFAOYSA-N
Molecular formula: C5H2BrNO
Average molar mass: 171.98 g/mol
Monoisotopic mass: 170.93197578

Names & identifiers

Preferred name: 5-Bromofuran-2-carbonitrile
IUPAC: 5-bromofuran-2-carbonitrile
English name: 5-broMo-2-furonitrile
Molecular formula: C5H2BrNO
Molecular weight: 171.98

Names & synonyms

5-bromofuran-2-carbonitrile4915-06-4DTXSID00351761RefChem:302041DTXCID30302827817-499-35-bromo-2-furonitrileMFCD034102062-Furancarbonitrile, 5-bromo-5-cyano-2-bromofuran2-Bromo-5-cyanofuranSCHEMBL2300931

Show more names

TH8

CHEMBL4551116VWVGOXGBMHAFFK-UHFFFAOYSA-NSBB000174STK681074AKOS005596197CS-W004524DS-7993SB61031

Database identifiers

CAS: 4915-06-4
PubChem CID: 708670
DTXSID: DTXSID00351761
ChEMBL: CHEMBL4551116
EC Number: 817-499-3

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 128

Physicochemical properties

Boiling point: 78 °C · 78 °C(Press: 14 Torr)
Density: 1.8976 g/cm3 · 1.8976 g/cm3
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2932190090 · 2932190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, 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.