2-Amino-4-fluorobenzamide

HCID 10241004

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Basic information

CAS: 119023-25-5
Standard SMILES: NC(=O)c1ccc(F)cc1N
InChIKey: OAQNMGCVLKKYJF-UHFFFAOYSA-N
Molecular formula: C7H7FN2O
Average molar mass: 154.14 g/mol
Monoisotopic mass: 154.05424106

Names & identifiers

Preferred name: 2-Amino-4-fluorobenzamide
IUPAC: 2-amino-4-fluorobenzamide
English name: Benzamide, 2-amino-4-fluoro- (9CI)
Molecular formula: C7H7FN2O
Molecular weight: 154.14

Names & synonyms

2-Amino-4-fluorobenzamide119023-25-5DTXSID20437117RefChem:255561DTXCID20387941868-935-4Benzamide, 2-amino-4-fluoro-MFCD115050614-fluoroanthranilamideSCHEMBL148542AKOS009510056SY101745

Show more names

2-Amino-4-FluorobenzBenzamide, 2-amino-4-fluoro- (9CI)

TS-02052CS-01500642-amino-4-fluoro-benzamideFT-06973957LJ23NQ979Benzamide,2-amino-4-fluoro-(9ci)SBB055273FA104622

Database identifiers

CAS: 119023-25-5
PubChem CID: 10241004
DTXSID: DTXSID20437117
UNII: 7LJ23NQ979
EC Number: 868-935-4

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 132 °C · 132 °C(Solv: benzene (71-43-2))
Boiling point: 270.8 · 270.8±25.0 °C(Predicted)
Density: 1.344 · 1.344±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 15.69 · 15.69±0.50(Predicted)
Appearance: Off-white to light brown Solid
InChI: InChI=1S/C7H7FN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
InChIKey: OAQNMGCVLKKYJF-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=C(F)C=C1N
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H312-H302-H332-H335-H319
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xn
Risk Statements: 22 · 22
HS Code: 2922390090 · 2922390090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2922390090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H315-H312-H302-H332-H335-H319
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362