CAS 31250-80-3 1-Benzyl-2,4,5-tribromo-1H-imidazole (HCID 2773241)

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Basic information

CAS: 31250-80-3
Standard SMILES: Brc1nc(Br)n(Cc2ccccc2)c1Br
InChIKey: DPVXZXBHQWNJDP-UHFFFAOYSA-N
Molecular formula: C10H7Br3N2
Average molar mass: 394.89 g/mol
Monoisotopic mass: 391.81593452

Names & identifiers

Preferred name: 1-Benzyl-2,4,5-tribromo-1H-imidazole
IUPAC: 1-benzyl-2,4,5-tribromoimidazole
English name: 1-BENZYL-2,4,5-TRIBROMO-1H-IMIDAZOLE
Molecular formula: C10H7Br3N2
Molecular weight: 394.89

Names & synonyms

1-Benzyl-2,4,5-tribromo-1H-imidazole31250-80-3DTXSID30378300RefChem:227933DTXCID803293271-benzyl-2,4,5-tribromoimidazoleMFCD03411958C10H7Br3N21-Benzyl-2,4,5-tribromo-imidazoleSCHEMBL4838632AKOS015839195AB14335

Show more names

2,4,5-tribromo-1-(phenylmethyl)imidazole1H-Imidazole, 2,4,5-tribromo-1-(phenylmethyl)-

AS-62770SY316610CS-0046830AM868522,4,5-TRIBROMO-1-BENZYL IMIDAZOLEF14984F213795

Database identifiers

CAS: 31250-80-3
PubChem CID: 2773241
DTXSID: DTXSID30378300
Nikkaji: J3.194.221G

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 209

Physicochemical properties

Melting point: 60 · 60-62°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
HS Code: 2933299090 · 2933299090

Safety & regulation

Safety data

hs_code: 2933299090
Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501