4,5-Dibromo-1-methylimidazole - CAS 1003-50-5

Catalog:	BB000184
Product Name:	4,5-Dibromo-1-methylimidazole
CAS:	1003-50-5
Synonyms:	4,5-dibromo-1-methylimidazole; 4,5-dibromo-1-methylimidazole

Technical Data

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Computed Properties

IUPAC Name:	4,5-dibromo-1-methylimidazole
Description:	4,5-Dibromo-1-methylimidazole (CAS# 1003-50-5) is a useful research chemical.
Molecular Weight:	239.90
Molecular Formula:	C4H4Br2N2
Canonical SMILES:	CN1C=NC(=C1Br)Br
InChI:	InChI=1S/C4H4Br2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChI Key:	JGFCQTKCCPQLKP-UHFFFAOYSA-N
Boiling Point:	339 °C at 760 mmHg
Density:	2.22 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00955568
LogP:	1.94510

Publication Number	Title	Priority Date
US-2006094839-A1	Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts	20040922
US-2006094867-A1	Heterocycle-amine ligands, compositions, complexes, and catalysts	20040922
US-2009131619-A1	Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts	20040922
US-2009143222-A1	Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts	20040922
US-7256296-B2	Heterocycle-amine ligands, compositions, complexes, and catalysts	20040922

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	88.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.87207
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.87412
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2