2-Chloro-5-(chloromethyl)thiophene - CAS 23784-96-5

Catalog:	BB018183
Product Name:	2-Chloro-5-(chloromethyl)thiophene
CAS:	23784-96-5
Synonyms:	2-chloro-5-(chloromethyl)thiophene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-chloro-5-(chloromethyl)thiophene
Description:	2-Chloro-5-(chloromethyl)thiophene (CAS# 23784-96-5) is a useful research chemical.
Molecular Weight:	167.06
Molecular Formula:	C5H4Cl2S
Canonical SMILES:	C1=C(SC(=C1)Cl)CCl
InChI:	InChI=1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
InChI Key:	MQTKXCOGYOYAMW-UHFFFAOYSA-N
Boiling Point:	83-85 °C (8 mmHg)
Purity:	95 %
Density:	1.385 g/cm³
Appearance:	Clear colorless to yellow liquid
MDL:	MFCD00009764
LogP:	3.14030

Publication Number	Title	Priority Date
CN-111116698-A	Dammarane type triterpene compound, preparation and application	20200107
CN-111116698-B	Dammarane type triterpene compound, preparation and application	20200107
KR-20210085369-A	1,2,3-Triazole Derivative Compounds as HSP90 Inhibitor, and the Use Thereof	20191230
WO-2021137665-A1	1, 2, 3-triazole derivative compound as hsp90 inhibitor, and use thereof	20191230
WO-2020238917-A1	Tetrahydro-1h-benzazepine compound as potassium channel modulator, preparation method and use thereof	20190531

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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Related Functional Groups

Thiophenes

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2-Phenyl-1-(thiophen-2-yl)ethanone
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[329082-05-5]
Ethyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
[350989-56-9]
Ethyl 2-amino-5-{[(4-chlorophenyl)amino]carbonyl}-4-methylthiophene-3-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.9410767
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.9410767
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3