2-Bromo-4-fluoro-6-nitrotoluene - CAS 502496-33-5

Catalog:	BB026970
Product Name:	2-Bromo-4-fluoro-6-nitrotoluene
CAS:	502496-33-5
Synonyms:	1-bromo-5-fluoro-2-methyl-3-nitrobenzene; 1-bromo-5-fluoro-2-methyl-3-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-5-fluoro-2-methyl-3-nitrobenzene
Description:	2-Bromo-4-fluoro-6-nitrotoluene (CAS# 502496-33-5) is a useful research chemical.
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	CC1=C(C=C(C=C1[N+](=O)[O-])F)Br
InChI:	InChI=1S/C7H5BrFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3
InChI Key:	ZVDFTBJXUXQPAU-UHFFFAOYSA-N
Boiling Point:	259.4 °C at 760 mmHg
Density:	1.696 g/cm³
MDL:	MFCD03094189
LogP:	3.32800

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

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

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.94877
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.94877
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9