2-Bromo-5-chlorothiophene - CAS 2873-18-9

Catalog:	BB019930
Product Name:	2-Bromo-5-chlorothiophene
CAS:	2873-18-9
Synonyms:	2-bromo-5-chlorothiophene

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Computed Properties

IUPAC Name:	2-bromo-5-chlorothiophene
Description:	2-Bromo-5-chlorothiophene (CAS# 2873-18-9) is a useful research chemical.
Molecular Weight:	197.48
Molecular Formula:	C4H2BrClS
Canonical SMILES:	C1=C(SC(=C1)Br)Cl
InChI:	InChI=1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H
InChI Key:	ZFAJPWYXLYGUJU-UHFFFAOYSA-N
Boiling Point:	69-70 °C18 mmHg (lit.) 176.5 °C at 760 mmHg
Purity:	95 %
Density:	1.803 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00014523
LogP:	3.16400

Publication Number	Title	Priority Date
CN-113292514-A	Piperazine derivative and organic photoelectric device comprising same	20210407
EP-3789378-A1	Piperidines or piperidones substituted with urea and heteroaryl	20190906
CN-110540744-A	Healthy and environment-friendly sponge based on child learning chair seat cushion	20190823
CN-111410673-A	Steroid compound, use and preparation method thereof	20190108
CN-109608432-A	Thiophene derivants as URAT1 inhibitor	20181217

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:	H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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, and P501
Signal Word:	Warning

Complexity:	68.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.87491
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.87491
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6