2-Bromo-1,4-dimethyl-1H-imidazole

HCID 7204877

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Basic information

CAS: 235426-30-9
Standard SMILES: Cc1cn(C)c(Br)n1
InChIKey: JKVMBWITGAWCIG-UHFFFAOYSA-N
Molecular formula: C5H7BrN2
Average molar mass: 175.03 g/mol
Monoisotopic mass: 173.97926032

Names & identifiers

Preferred name: 2-Bromo-1,4-dimethyl-1H-imidazole
IUPAC: 2-bromo-1,4-dimethylimidazole
English name: 2-Bromo-1,4-dimethyl-1H-imidazole
Molecular formula: C5H7BrN2
Molecular weight: 175.03

Names & synonyms

2-Bromo-1,4-dimethyl-1H-imidazole235426-30-9DTXSID30428399RefChem:256750DTXCID50379233692-695-82-bromo-1,4-dimethylimidazoleMFCD066599031H-Imidazole, 2-bromo-1,4-dimethyl-2-bromo-1,4-dimethyl-imidazoleSCHEMBL1560557STR07137

Show more names

1H-IMidazole,2-broMo-1,4-diMethyl2-Bromo-1,4-dimethyl-1H-imidazole98%2-Bromo-1,4-dimethyl-1H-imidazole 98%

AKOS006343258AB26588AM803566SY024849CS-0037403EN300-268645F233353

Database identifiers

CAS: 235426-30-9
PubChem CID: 7204877
DTXSID: DTXSID30428399
EC Number: 692-695-8
Nikkaji: J1.101.974I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 86.5

Physicochemical properties

Melting point: 46 · 46-50
Boiling point: 253.6 · 253.6±33.0 °C(Predicted)
Density: 1.58 · 1.58±0.1 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
form: solid
pka: 4.28 · 4.28±0.60(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
Hazard Note: Harmful/Irritant/Keep Cold
HS Code: 2933299090 · 2933299090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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