4-Amino-2,5-difluorobenzoic Acid - CAS 773108-64-8

Catalog:	BB035881
Product Name:	4-Amino-2,5-difluorobenzoic Acid
CAS:	773108-64-8
Synonyms:	4-amino-2,5-difluorobenzoic acid; 4-amino-2,5-difluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-amino-2,5-difluorobenzoic acid
Description:	4-Amino-2,5-difluorobenzoic Acid (CAS# 773108-64-8) is a useful research chemical.
Molecular Weight:	173.12
Molecular Formula:	C7H5F2NO2
Canonical SMILES:	C1=C(C(=CC(=C1F)N)F)C(=O)O
InChI:	InChI=1S/C7H5F2NO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:	YOXMTBAQSNCVJQ-UHFFFAOYSA-N
Boiling Point:	316.5 °C at 760 mmHg
Density:	1.536 g/cm³
MDL:	MFCD06208208
LogP:	1.82640

Publication Number	Title	Priority Date
EP-3412660-A1	Sulfonamide derivative and pharmaceutical composition containing same	20160205
EP-3412660-B1	Sulfonamide derivative and pharmaceutical composition containing same	20160205
EP-3412660-B9	Sulfonamide derivative and pharmaceutical composition containing same	20160205
US-9958777-B2	Resist composition and patterning process	20160120
EP-3064491-A1	Sulfonamide derivative and medicinal use thereof	20131029

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (90%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.02883473
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.02883473
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1