2-Amino-5-fluorobenzamide

HCID 10241003

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Basic information

CAS: 63069-49-8
Standard SMILES: NC(=O)c1cc(F)ccc1N
InChIKey: RHJMYIPLYKQZJM-UHFFFAOYSA-N
Molecular formula: C7H7FN2O
Average molar mass: 154.14 g/mol
Monoisotopic mass: 154.05424106

Names & identifiers

Preferred name: 2-Amino-5-fluorobenzamide
IUPAC: 2-amino-5-fluorobenzamide
English name: 2-Amino-5-fluorobenzamide
Molecular formula: C7H7FN2O
Molecular weight: 154.14

Names & synonyms

2-Amino-5-fluorobenzamide63069-49-8DTXSID60437116RefChem:85270DTXCID60387940834-914-32-amino-5-fluoro-benzamideMFCD034285225-FLUOROANTHRANILAMIDEBenzamide, 2-amino-5-fluoro-SCHEMBL183930AKOS005259888

Show more names

2-Amino-5-fluorobenzamide97%2-Amino-5-fluorobenzamide 97%2-Amino-5-fluorobenzamide, >=98%2-Carbamoyl-4-fluoroaniline, 5-Fluoroanthranilamide

CS-W005552PS-8875SB75778AC-16283EN300-43370F2163-0183Z376434962A8705

Database identifiers

CAS: 63069-49-8
PubChem CID: 10241003
DTXSID: DTXSID60437116
EC Number: 834-914-3

Properties

Computed structural properties

XLogP: 0.4
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: 143 · 143-148℃
Boiling point: 259.3 · 259.3±25.0 °C(Predicted)
Density: 1.344 · 1.344±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 15.23 · 15.23±0.50(Predicted)
form: Crystalline
color: Off-white
InChI: InChI=1S/C7H7FN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKey: RHJMYIPLYKQZJM-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC(F)=CC=C1N
CAS DataBase Reference: 63069 · 63069-49-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2924297099
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Amino-5-fluoro-benzamideis a useful reagent to prepare various quinazolinones including the enantioselective synthesis of fluoro-dihydroquinazolones and -benzooxazinones.