CAS 701-49-5 4-fluoro-N-methylbenzamide (HCID 4074247)

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Basic information

CAS: 701-49-5
Standard SMILES: CNC(=O)c1ccc(F)cc1
InChIKey: PIHJUDHVYWCZLS-UHFFFAOYSA-N
Molecular formula: C8H8FNO
Average molar mass: 153.15 g/mol
Monoisotopic mass: 153.0589921

Names & identifiers

Preferred name: 4-fluoro-N-methylbenzamide
IUPAC: 4-fluoro-N-methylbenzamide
English name: 4-FLUORO-N-METHYLBENZAMIDE
Molecular formula: C8H8FNO
Molecular weight: 153.15

Names & synonyms

4-fluoro-N-methylbenzamide701-49-5DTXSID10399053RefChem:1070682DTXCID10349912Benzamide, 4-fluoro-N-methyl-4-fluoro-N-methyl-benzamideMFCD000325314-fluoro-N-methylbezamideSCHEMBL192212CX1268AKOS008932853

Show more names

N-Methyl 4-fluorobenzamide

CS-W018076EN300-140222Z32016363FT-0737829A866665SCHEMBL2992032SCHEMBL10843654SCHEMBL12615099

Database identifiers

CAS: 701-49-5
PubChem CID: 4074247
DTXSID: DTXSID10399053
Nikkaji: J484.227H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 133 · 133-134 °C
Boiling point: 276.2 · 276.2±23.0 °C(Predicted)
Density: 1.142 · 1.142±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.88 · 14.88±0.46(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 701 · 701-49-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2924297099 · 2924297099

Safety & regulation

Safety data

hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P270-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501