6-Amino-3-bromo-2-fluorobenzoic acid - CAS 1036756-03-2

Catalog:	BB044587
Product Name:	6-Amino-3-bromo-2-fluorobenzoic acid
CAS:	1036756-03-2
Synonyms:	Benzoic acid, 6-amino-3-bromo-2-fluoro-

Technical Data

Safety and Hazards

Computed Properties

Related CAS:	1637774-84-5 (monohydrochloride)
IUPAC Name:	6-amino-3-bromo-2-fluorobenzoic acid
Description:	6-Amino-3-bromo-2-fluorobenzoic acid (CAS# 1036756-03-2 ) is a useful research chemical.
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	C1=CC(=C(C(=C1N)C(=O)O)F)Br
InChI:	InChI=1S/C7H5BrFNO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:	NUEJVMJQKLRHCO-UHFFFAOYSA-N
Boiling Point:	335.3±42.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.877±0.06 g/cm³ (Predicted)

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Related Functional Groups

Amines and Anilines

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1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
[17583-40-3]
2-(Methylamino)benzonitrile
[6397-33-7]
2-(Isopropylthio)aniline
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

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
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride

GHS Hazard Statement:	H302 (100%): 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:	190
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:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.94877
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1