4-Bromo-1-methylimidazole - CAS 25676-75-9

Catalog:	BB019003
Product Name:	4-Bromo-1-methylimidazole
CAS:	25676-75-9
Synonyms:	4-bromo-1-methylimidazole; 4-bromo-1-methylimidazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1-methylimidazole
Description:	4-Bromo-1-methylimidazole (CAS# 25676-75-9) is a useful research chemical.
Molecular Weight:	161.00
Molecular Formula:	C4H5BrN2
Canonical SMILES:	CN1C=C(N=C1)Br
InChI:	InChI=1S/C4H5BrN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
InChI Key:	IOTSLMMLLXTNNH-UHFFFAOYSA-N
Boiling Point:	271.7 °C at 760 mmHg
Density:	1.69 g/cm³
MDL:	MFCD01320501
LogP:	1.18260

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Related Functional Groups

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ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
[64038-58-0]
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[1855890-25-3]
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Ethyl 1-propyl-1H-imidazole-2-carboxylate
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GHS Hazard Statement:	H301 (33.33%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.96361
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4