2-Chloro-4-nitrobenzonitrile - CAS 28163-00-0

Catalog:	BB019779
Product Name:	2-Chloro-4-nitrobenzonitrile
CAS:	28163-00-0
Synonyms:	2-chloro-4-nitrobenzonitrile; 2-chloro-4-nitrobenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-4-nitrobenzonitrile
Description:	2-Chloro-4-nitrobenzonitrile (CAS# 28163-00-0) is a useful research chemical.
Molecular Weight:	182.56
Molecular Formula:	C7H3ClN2O2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Cl)C#N
InChI:	InChI=1S/C7H3ClN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H
InChI Key:	ZIGQFRQZYVQQDR-UHFFFAOYSA-N
Boiling Point:	337 °C at 760 mmHg
Density:	1.47 g/cm³
Appearance:	Beige powder
MDL:	MFCD00052203
LogP:	2.64308

Publication Number	Title	Priority Date
CN-110981800-A	Preparation method of lenvatinib	20191231
CN-112279845-A	Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof	20190724
CN-103992291-A	Method for synthesizing 2-substituted benzothiazole derivative	20140515
CN-103992291-B	A kind of method of synthesizing 2-substituted benzothiazole derivatives	20140515
EP-2853532-A1	1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III	20130928

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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
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.988305
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.988305
Rotatable Bond Count:	0
Topological Polar Surface Area:	69.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2