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Benzoic acid, 5-amino-2-fluoro-, methyl ester

Benzoic acid, 5-amino-2-fluoro-, methyl ester structure

CAS No:
56741-34-5
Formula:
C8H8FNO2
Chemical Name:
Benzoic acid, 5-amino-2-fluoro-, methyl ester
Synonyms:
Benzoic acid,5-amino-2-fluoro-,methyl ester;Methyl 5-amino-2-fluorobenzoate;5-Amino-2-fluorobenzoic acid methyl ester

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Benzoic acid, 5-amino-2-fluoro-, methyl ester Basic Attributes

Molecular Weight：

169.15

Exact Mass：

169.15

DSSTox ID：

DTXSID60575906

HScode：

2922499990

Characteristics

PSA：

52.32000

XLogP3：

1.77570

Density：

1.264±0.06 g/cm3

Melting Point：

86 °C @ Solvent: Carbon tetrachloride

Boiling Point：

302.3±27.0 °C(Predicted)

Flash Point：

136.638ºC

Refractive Index：

1.544

PKA：

3.51±0.10

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:169.15
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:169.05390666
Monoisotopic Mass:169.05390666
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 5-amino-2-fluoro-, methyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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