3-Chloro-2-nitrotoluene - CAS 5367-26-0

Catalog:	BB028312
Product Name:	3-Chloro-2-nitrotoluene
CAS:	5367-26-0
Synonyms:	1-chloro-3-methyl-2-nitrobenzene; 1-chloro-3-methyl-2-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-3-methyl-2-nitrobenzene
Description:	3-Chloro-2-nitrotoluene (CAS# 5367-26-0) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	CC1=C(C(=CC=C1)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
InChI Key:	JLDKNVUJLUGIBQ-UHFFFAOYSA-N
Boiling Point:	251.9 °C at 760 mmHg
Density:	1.324 g/cm³
MDL:	MFCD04117977
LogP:	3.07980

Publication Number	Title	Priority Date
CN-111905825-A	Zinc coordination polymer catalytic material and preparation method and application thereof	20200819
CN-111217779-A	Synthetic method of 3-methyl-4-nitro-dibenzofuran	20200305
JP-2020070436-A	Composition, solder resist composition, cured product and method for producing cured product	20181025
CN-108530335-B	Indole compound and preparation method and application thereof	20180521
CN-108484497-A	A kind of synthetic method of 3- amino -7- chloroquinolines	20180412

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501
Signal Word:	Danger

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0087061
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.0087061
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7