3-Chloro-2-nitrobenzyl alcohol - CAS 77158-86-2

Catalog:	BB035842
Product Name:	3-Chloro-2-nitrobenzyl alcohol
CAS:	77158-86-2
Synonyms:	(3-chloro-2-nitrophenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(3-chloro-2-nitrophenyl)methanol
Description:	3-Chloro-2-nitrobenzyl alcohol (CAS# 77158-86-2) is a useful research chemical compound.
Molecular Weight:	187.58
Molecular Formula:	C7H6ClNO3
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CO
InChI:	InChI=1S/C7H6ClNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-3,10H,4H2
InChI Key:	ZSMDJSXEFYWXPD-UHFFFAOYSA-N
Boiling Point:	319.393 °C at 760 mmHg
Density:	1.477 g/cm³
Appearance:	White to tan powder or crystals
MDL:	MFCD04038814
LogP:	2.26370

Publication Number	Title	Priority Date
CN-110835361-A	Sialic acid glycosyl donor and preparation method and application thereof	20191021
WO-2017156218-A1	Method of making polynucleotides using closed-loop verification	20160311
EP-2900645-A1	3-phenylisoxazolin derivatives with herbicidal action	20120925
AU-2010262036-A1	Novel substituted indazole and aza-indazole derivatives as gamma secretase modulators	20090507
AU-2010262036-B2	Novel substituted indazole and aza-indazole derivatives as gamma secretase modulators	20090507

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Related Functional Groups

Oxygen Compounds

[544-62-7]
Batyl alcohol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0036207
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.0036207
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5