2-Bromo-5-methylthiophene - CAS 765-58-2

Catalog:	BB035613
Product Name:	2-Bromo-5-methylthiophene
CAS:	765-58-2
Synonyms:	2-bromo-5-methylthiophene

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Computed Properties

IUPAC Name:	2-bromo-5-methylthiophene
Description:	2-Bromo-5-methylthiophene (CAS# 765-58-2) is a useful research chemical.
Molecular Weight:	177.06
Molecular Formula:	C5H5BrS
Canonical SMILES:	CC1=CC=C(S1)Br
InChI:	InChI=1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3
InChI Key:	ACDLOOGOFKSUPO-UHFFFAOYSA-N
Boiling Point:	65 °C (15 mmHg)
Density:	1.552 g/cm³
MDL:	MFCD00130103
LogP:	2.81900

Publication Number	Title	Priority Date
WO-2015159098-A1	Fluoroalkylfluorene derivatives	20140417
WO-2015128779-A1	Heteroacenes for organic electronics	20140225
WO-2015092816-A1	Functionalized zinc oxide nanoparticles for photocatalytic water splitting	20131216
WO-2015095128-A1	P2x3 and/or p2x2/3 compounds and methods	20131216
WO-2015084649-A1	Crystalline forms of n-(4-((3-(2-amino-4-pyrimidinyl) - 2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1 -phthalazinamine pharmaceutically acceptable salts and uses thereof	20131203

PMID	Publication Date	Title	Journal
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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GHS Hazard Statement:	H227 (33.33%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	65.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.92953
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.92953
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3