2-Chloro-4-nitrophenol - CAS 619-08-9

Name: 2-Chloro-4-nitrophenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031319
Product Name:	2-Chloro-4-nitrophenol
CAS:	619-08-9
Synonyms:	2-chloro-4-nitrophenol

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Computed Properties

IUPAC Name:	2-chloro-4-nitrophenol
Description:	2-Chloro-4-nitrophenol (CAS# 619-08-9) is used as a sole source of carbon and nitrogen by Cupriavidus strain a3.
Molecular Weight:	173.55
Molecular Formula:	C6H4ClNO3
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Cl)O
InChI:	InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChI Key:	BOFRXDMCQRTGII-UHFFFAOYSA-N
Boiling Point:	290.6 °C at 760 mmHg
Density:	1.554 g/cm³
Appearance:	Beige powder
MDL:	MFCD00043910
LogP:	2.47700
Vapor Pressure:	0.000296 [mmHg]

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Related Functional Groups

Oxygen Compounds

[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[88-60-8]C11H16O
2-tert-Butyl-5-methylphenol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113480584-A	Preparation method of 2-chloro-4-nitrobenzene-alpha-L-fucoside	20210702
CN-113307767-A	Synthetic method of lenvatinib	20210618
CN-113189028-A	Serum chlorine detection reagent ball and serum chlorine detection chip	20210419
CN-112898360-A	Nitrogen-containing aromatic ring derivative containing glucose and application thereof	20210126
CN-112625075-A	alpha-L-fucosidase detection probe and preparation method and application thereof	20201222

PMID	Publication Date	Title	Journal
22486298	20120501	Novel fluorescence method for detection of α-L-fucosidase based on CdTe quantum dots	Analytical chemistry
22292983	20120201	Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise	BMC microbiology
22701692	20120101	Metabolism of 2-chloro-4-nitrophenol in a gram negative bacterium, Burkholderia sp. RKJ 800	PloS one
23034237	20120101	High-throughput colorimetric assays for nucleotide sugar formation and glycosyl transfer	Methods in enzymology
21960016	20111201	Pathway for degradation of 2-chloro-4-nitrophenol in Arthrobacter sp. SJCon	Current microbiology

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.9879707
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.9879707
Rotatable Bond Count:	0
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3