Ethyl 4-Amino-2-fluorobenzoate - CAS 73792-06-0

Catalog:	BB034926
Product Name:	Ethyl 4-Amino-2-fluorobenzoate
CAS:	73792-06-0
Synonyms:	4-amino-2-fluorobenzoic acid ethyl ester; ethyl 4-amino-2-fluorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-amino-2-fluorobenzoate
Description:	Ethyl 4-Amino-2-fluorobenzoate (CAS# 73792-06-0) is a useful research chemical.
Molecular Weight:	183.18
Molecular Formula:	C9H10FNO2
Canonical SMILES:	CCOC(=O)C1=C(C=C(C=C1)N)F
InChI:	InChI=1S/C9H10FNO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2,11H2,1H3
InChI Key:	NNMJPCUZFNRTEG-UHFFFAOYSA-N
Boiling Point:	313.865 °C at 760 mmHg
Density:	1.219 g/cm³
LogP:	2.16580

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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:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.06955672
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.06955672
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9