4-Chloro-2-fluoro-5-nitrobenzoic Acid - CAS 35112-05-1

Catalog:	BB022474
Product Name:	4-Chloro-2-fluoro-5-nitrobenzoic Acid
CAS:	35112-05-1
Synonyms:	4-chloro-2-fluoro-5-nitrobenzoic acid; 4-chloro-2-fluoro-5-nitrobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2-fluoro-5-nitrobenzoic acid
Description:	4-Chloro-2-fluoro-5-nitrobenzoic Acid (CAS# 35112-05-1) is a useful research chemical.
Molecular Weight:	219.55
Molecular Formula:	C7H3ClFNO4
Canonical SMILES:	C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)C(=O)O
InChI:	InChI=1S/C7H3ClFNO4/c8-4-2-5(9)3(7(11)12)1-6(4)10(13)14/h1-2H,(H,11,12)
InChI Key:	KAONECPATVTFST-UHFFFAOYSA-N
Boiling Point:	361.4 °C at 760 mmHg
Density:	1.689 g/cm³
Appearance:	Solid
LogP:	2.60870

Publication Number	Title	Priority Date
CN-111072513-A	Preparation method of hepatitis drug intermediate	20191230
CN-110668948-A	Preparation method of 4-chloro-2-fluoro-5-nitroacetophenone	20191028
CA-3069720-A1	Carboxamides as modulators of sodium channels	20170711
CN-111065383-A	Carboxamides useful as sodium channel modulators	20170711
EP-3651752-A1	Carboxamides as modulators of sodium channels	20170711

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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:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.9734634
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.9734634
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2