CAS 3556-52-3 3-Fluoro-4-nitrobenzamide (HCID 11423967)

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Basic information

CAS: 3556-52-3
Standard SMILES: NC(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIKey: CKHYKLBLOPFXTB-UHFFFAOYSA-N
Molecular formula: C7H5FN2O3
Average molar mass: 184.12 g/mol
Monoisotopic mass: 184.02842024

Names & identifiers

Preferred name: 3-Fluoro-4-nitrobenzamide
IUPAC: 3-fluoro-4-nitrobenzamide
English name: 3-fluoro-4-nitrobenzaMide
Molecular formula: C7H5FN2O3
Molecular weight: 184.12

Names & synonyms

3-Fluoro-4-nitrobenzamide3556-52-3DTXSID10465388RefChem:279448DTXCID40416207959-958-13-fluoro-4-nitro-benzamideMFCD16658739Metformin Impurity 65SCHEMBL1937077SCHEMBL31176043CKHYKLBLOPFXTB-UHFFFAOYSA-N

Show more names

Benzamide, 3-fluoro-4-nitro-3-Fluoro-4-Nitrobenzamide(WX635020)

DAA55652AKOS011976478AS-58649SY075152EN300-70430

Database identifiers

CAS: 3556-52-3
PubChem CID: 11423967
DTXSID: DTXSID10465388
EC Number: 959-958-1

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 172 °C · 172 °C
Boiling point: 329.5 · 329.5±32.0 °C(Predicted)
Density: 1.482 · 1.482±0.06 g/cm3(Predicted)
pka: 14.48 · 14.48±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 29242990 · 29242990

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.