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2-Chloro-1,3-difluorobenzene

2-Chloro-1,3-difluorobenzene - CAS 38361-37-4

Catalog:	BB023645
Product Name:	2-Chloro-1,3-difluorobenzene
CAS:	38361-37-4
Synonyms:	2-chloro-1,3-difluorobenzene; 2-chloro-1,3-difluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-1,3-difluorobenzene
Description:	2-Chloro-1,3-difluorobenzene (CAS# 38361-37-4) is a useful research chemical.
Molecular Weight:	148.54
Molecular Formula:	C6H3ClF2
Canonical SMILES:	C1=CC(=C(C(=C1)F)Cl)F
InChI:	InChI=1S/C6H3ClF2/c7-6-4(8)2-1-3-5(6)9/h1-3H
InChI Key:	OTZQYBFTOANOJO-UHFFFAOYSA-N
Boiling Point:	136.5 °C at 760 mmHg
Density:	1.352 g/cm³
Solubility:	Slightly soluble
LogP:	2.61820

Publication Number	Title	Priority Date
US-2020354380-A1	Organic molecules for optoelectronic devices	20190508
KR-20200091827-A	Compound and organic light emitting device comprising the same	20190123
WO-2020153792-A1	Compound and organic light-emitting diode comprising same	20190123
CN-113166122-A	Small molecule inhibitors of galectin-3	20181206
CN-108822869-A	A kind of liquid-crystal compounds containing chlorine and combinations thereof and high frequency assembly comprising it	20180817

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Related Functional Groups

Halides

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1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
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2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

GHS Hazard Statement:	H225 (33.33%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.9891341
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.9891341
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8