CAS 72459-47-3 1-(3-Bromobenzyl)-1H-imidazole (HCID 10220337)

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Basic information

CAS: 72459-47-3
Standard SMILES: Brc1cccc(Cn2ccnc2)c1
InChIKey: BGYZLOIBJCHCTI-UHFFFAOYSA-N
Molecular formula: C10H9BrN2
Average molar mass: 237.1 g/mol
Monoisotopic mass: 235.99491

Names & identifiers

Preferred name: 1-(3-Bromobenzyl)-1H-imidazole
IUPAC: 1-[(3-bromophenyl)methyl]imidazole
English name: 1-(3-BROMOBENZYL)-1H-IMIDAZOLE
Molecular formula: C10H9BrN2
Molecular weight: 237.1

Names & synonyms

1-(3-Bromobenzyl)-1H-imidazole72459-47-3DTXSID00436926RefChem:74281DTXCID303877501-[(3-bromophenyl)methyl]imidazole1-[(3-bromophenyl)methyl]-1H-imidazole1-(3-bromobenzyl)imidazoleCHEMBL598391MFCD082719191-(3-Brombenzyl)imidazolSCHEMBL1848631

Show more names

1-(3-Bromobenzyl)-1H-imidazole 97%1H-Imidazole, 1-[(3-bromophenyl)methyl]-

[(3-bromophenyl)methyl]imidazoleBGYZLOIBJCHCTI-UHFFFAOYSA-NBDBM50307216EBC-03574SBB098740AKOS013124377MS-22438PD178901

Database identifiers

CAS: 72459-47-3
PubChem CID: 10220337
DTXSID: DTXSID00436926
ChEMBL: CHEMBL598391

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 62 °C · 62 °C
CAS DataBase Reference: 72459 · 72459-47-3
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HS Code: 2933299090 · 2933299090

Safety & regulation

Safety data

hs_code: 2933299090
risk_code: 41
hazard_code: Xi
safety_code: 26-39

Chemistry & industry

Suppliers13 total

上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]

赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

九鼎化学（上海）科技有限公司4009209199 · [email protected]

上海书亚医药科技有限公司400-685-9117 · [email protected]

常州探索化学有限公司15295164949 · [email protected]

Related reactions

1 records

New reaction record

HRID 359045As reactantuspto-grants-1991_03

Compound notes

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