2-Amino-4-fluorobenzoic Acid - CAS 446-32-2

Catalog:	BB025674
Product Name:	2-Amino-4-fluorobenzoic Acid
CAS:	446-32-2
Synonyms:	2-amino-4-fluorobenzoic acid; 2-amino-4-fluorobenzoic acid

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Computed Properties

IUPAC Name:	2-amino-4-fluorobenzoic acid
Description:	2-Amino-4-fluorobenzoic Acid (CAS# 446-32-2) is a compound useful in organic synthesis.
Molecular Weight:	155.13
Molecular Formula:	C7H6FNO2
Canonical SMILES:	C1=CC(=C(C=C1F)N)C(=O)O
InChI:	InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChI Key:	LGPVTNAJFDUWLF-UHFFFAOYSA-N
Boiling Point:	318.1 °C at 760 mmHg
Density:	1.43 g/cm³
MDL:	MFCD00075553
LogP:	1.68730

Publication Number	Title	Priority Date
CN-113325036-A	GO-MOF composite material and dimethylamine QCM sensor and preparation method thereof	20210528
CN-113307740-A	Preparation method of 2-amino-4-fluorobenzoic acid	20210527
CN-112375043-A	Method for preparing dacomitinib	20201126
CN-111978190-A	Temperature-sensitive fluorescent sensing material and application thereof	20200824
CN-111995537-A	Pressure-sensitive fluorescent sensing material with aggregation-induced emission performance	20200824

PMID	Publication Date	Title	Journal
22412620	20120301	2,4-Dichloro-7-fluoro-quinazoline	Acta crystallographica. Section E, Structure reports online
17941706	20070914	Inhibitors of pathogen intercellular signals as selective anti-infective compounds	PLoS pathogens

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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.0382566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	155.0382566
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2