3-Chlorobenzonitrile - CAS 766-84-7

Catalog:	BB035671
Product Name:	3-Chlorobenzonitrile
CAS:	766-84-7
Synonyms:	3-chlorobenzonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-chlorobenzonitrile
Description:	3-Chlorobenzonitrile (CAS# 766-84-7) is a useful research chemical.
Molecular Weight:	137.57
Molecular Formula:	C7H4ClN
Canonical SMILES:	C1=CC(=CC(=C1)Cl)C#N
InChI:	InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI Key:	WBUOVKBZJOIOAE-UHFFFAOYSA-N
Boiling Point:	94 °C (11 mmHg)
Melting Point:	38-42 °C
Purity:	95 %
Density:	1.14 g/cm³
Appearance:	Very light beige crystalline powder.
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
LogP:	2.21168

Publication Number	Title	Priority Date
CN-113214104-A	Method for synthesizing aromatic acetamide	20210416
CN-113024530-A	Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof	20210315
CN-112898208-A	Phenyl pyrimidinamine antitumor compound and preparation method and application thereof	20210129
CN-214130621-U	A filter equipment for m-chloropropiophenone intermediate product	20201217
CN-214131650-U	Reaction device for synthesizing m-chloropropiophenone	20201217

PMID	Publication Date	Title	Journal
21210990	20110106	Heterologous expression, purification and characterization of nitrilase from Aspergillus niger K10	BMC biotechnology
19287539	20080101	Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1	Studies in mycology
17061133	20061201	Purification and characterization of a nitrilase from Aspergillus niger K10	Applied microbiology and biotechnology
15803497	20050615	Synthesis, characterization, and first successful monkey imaging studies of metabotropic glutamate receptor subtype 5 (mGluR5) PET radiotracers	Synapse (New York, N.Y.)
2737207	19890615	Nitrilase of Rhodococcus rhodochrous J1. Purification and characterization	European journal of biochemistry

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P312, P322, P330, P337+P313, P361, P363, P405, and P501
Signal Word:	Danger

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.0032268
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	137.0032268
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7