1,3-Dichloro-5-nitrobenzene - CAS 618-62-2

Name: 1,3-Dichloro-5-nitrobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031298
Product Name:	1,3-Dichloro-5-nitrobenzene
CAS:	618-62-2
Synonyms:	1,3-dichloro-5-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1,3-dichloro-5-nitrobenzene
Description:	1,3-Dichloro-5-nitrobenzene (CAS# 618-62-2) is a useful research chemical compound.
Molecular Weight:	192.00
Molecular Formula:	C6H3Cl2NO2
Canonical SMILES:	C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChI Key:	RNABGKOKSBUFHW-UHFFFAOYSA-N
Boiling Point:	247.4 °C at 760 mmHg
Melting Point:	64.5 °C
Flash Point:	140 °C
Density:	1.533 g/cm³
Appearance:	Orange to brown crystals
MDL:	MFCD00007211
LogP:	3.42480

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline

GHS Hazard Statement:	H302 (49.38%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113304768-A	Application of monoatomic Pt catalyst in reaction for preparing arylamine compound by selective hydrogenation of nitroaromatic	20210526
CN-112500295-A	Production process of 3, 5-dichloronitrobenzene	20201030
CN-111517963-A	Preparation method of environment-friendly 2, 6-dichloro-4-nitroaniline	20200602
WO-2021185391-A1	Inhibitors of cytokinin oxidase derived from 1-[2-(hydroxyalkyl)phenyl]-3-ylurea, use thereof and preparations containing these derivatives	20200316
CN-111004128-A	Production process of 3, 5-dichloroaniline	20191205

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.9540837
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.9540837
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1