CAS 10040-96-7 1-(4-Bromophenyl)imidazole (HCID 2735604)

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Basic information

CAS: 10040-96-7
Standard SMILES: Brc1ccc(-n2ccnc2)cc1
InChIKey: SERULNRLZWOYPK-UHFFFAOYSA-N
Molecular formula: C9H7BrN2
Average molar mass: 223.07 g/mol
Monoisotopic mass: 221.97926032

Names & identifiers

Preferred name: 1-(4-Bromophenyl)imidazole
IUPAC: 1-(4-bromophenyl)imidazole
English name: 1-(4-Bromophenyl)imidazole
Molecular formula: C9H7BrN2
Molecular weight: 223.07

Names & synonyms

1-(4-Bromophenyl)imidazole10040-96-7DTXSID50370826RefChem:224928DTXCID20321860674-063-31-(4-Bromophenyl)-1H-ImidazoleMFCD000604891H-Imidazole, 1-(4-bromophenyl)-1-(4-bromo-phenyl)-1H-imidazole1-(4'-bromophenyl)-1H-imidazoleAKOS015835671

Show more names

1-(4-Bromophenyl)imidazole >1H-Imidazole, 1-(4-bromophenyl)-1-(4-Bromophenyl)-1H-imidazole 98%1-Bromo-4-(1H-imidazol-1-yl)benzene

AB02390PS-7803SY050376CS-0034129A118136ARFT-0636622A19511

Database identifiers

CAS: 10040-96-7
PubChem CID: 2735604
DTXSID: DTXSID50370826
EC Number: 674-063-3
Nikkaji: J1.368.961J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 118 · 118-120°C
Boiling point: 323.4 · 323.4±25.0 °C(Predicted)
Density: 1.5 · 1.50±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 5.24 · 5.24±0.10(Predicted)
color: White to Light yellow
CAS DataBase Reference: 10040 · 10040-96-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-41-37/38
Safety Statements: 26 · 26-36/37/39-39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933299090
risk_code: 36/37/38-41-37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-39
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313