2-Bromo-6-nitrotoluene - CAS 55289-35-5

Name: 2-Bromo-6-nitrotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028987
Product Name:	2-Bromo-6-nitrotoluene
CAS:	55289-35-5
Synonyms:	1-bromo-2-methyl-3-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-methyl-3-nitrobenzene
Description:	2-Bromo-6-nitrotoluene (CAS# 55289-35-5) is a useful research chemical.
Molecular Weight:	216.03
Molecular Formula:	C7H6BrNO2
Canonical SMILES:	CC1=C(C=CC=C1Br)[N+](=O)[O-]
InChI:	InChI=1S/C7H6BrNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChI Key:	LYTNSGFSAXWBCA-UHFFFAOYSA-N
Boiling Point:	143 °C (22 mmHg)
Melting Point:	38-40 °C
Purity:	98 %
Density:	1.615 g/cm³
Appearance:	Needles
MDL:	MFCD00009792
LogP:	3.18890

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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
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[351-28-0]C8H8FNO
3'-Fluoroacetanilide

GHS Hazard Statement:	H302 (14.58%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112321513-A	Heterocyclic compound and preparation method and application thereof	20201106
CN-111995577-A	Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof	20200909
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
TW-202039494-A	Macrocyclic compound and use thereof	20181205

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.95819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.95819
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2