2-Chloro-6-nitrobenzoic acid - CAS 5344-49-0

Name: 2-Chloro-6-nitrobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028220
Product Name:	2-Chloro-6-nitrobenzoic acid
CAS:	5344-49-0
Synonyms:	2-chloro-6-nitrobenzoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-chloro-6-nitrobenzoic acid
Description:	2-Chloro-6-nitrobenzoic acid (CAS# 5344-49-0) is a useful research chemical.
Molecular Weight:	201.56
Molecular Formula:	C7H4ClNO4
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
InChI Key:	JYHOMEFOTKWQPN-UHFFFAOYSA-N
Boiling Point:	345.7 °C at 760 mmHg
Melting Point:	164-166 °C
Purity:	98 %
Density:	1.602 g/cm³
Appearance:	The white-similar crystalline powder
Storage:	Keep Cold
MDL:	MFCD00100425
LogP:	2.46960

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Nitrogen Compounds

[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113480520-A	Isoquinoline-1, 3(2H,4H) -diketone derivative and application thereof	20210816
CN-110325523-A	Carboxylic acid aramid as bradykinin b 1 receptor antagonist	20161223
CN-105801443-A	Synthesis method of dicloxacillin drug intermediate 2-amino-6-chlorobenzoic acid	20160505
US-2019202835-A1	Isotopologues of isoquinolinone and quinazolinone compounds and uses thereof as pi3k kinase inhibitors	20160317
WO-2017161116-A1	Isotopologues of isoquinolinone and quinazolinone compounds and uses thereof as pi3k kinase inhibitors	20160317

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.9828853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.9828853
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6