4-Bromo-5-fluoro-2-nitrobenzoic Acid - CAS 1020717-99-0

Catalog:	BB000768
Product Name:	4-Bromo-5-fluoro-2-nitrobenzoic Acid
CAS:	1020717-99-0
Synonyms:	4-bromo-5-fluoro-2-nitrobenzoic acid; 4-bromo-5-fluoro-2-nitrobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-5-fluoro-2-nitrobenzoic acid
Description:	4-Bromo-5-fluoro-2-nitrobenzoic Acid (CAS# 1020717-99-0) is a useful research chemical.
Molecular Weight:	264.01
Molecular Formula:	C7H3BrFNO4
Canonical SMILES:	C1=C(C(=CC(=C1F)Br)[N+](=O)[O-])C(=O)O
InChI:	InChI=1S/C7H3BrFNO4/c8-4-2-6(10(13)14)3(7(11)12)1-5(4)9/h1-2H,(H,11,12)
InChI Key:	JZVCMOJSPCGLTC-UHFFFAOYSA-N
Boiling Point:	367.576 °C at 760 mmHg
Density:	1.967 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD08702773
LogP:	2.71780

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Related Functional Groups

Carbonyl 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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.92295
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	262.92295
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1