CAS 13493-47-5 N-(2-formylphenyl)acetamide (HCID 326664)

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Basic information

CAS: 13493-47-5
Standard SMILES: CC(=O)Nc1ccccc1C=O
InChIKey: OWMJAQBUFVTERI-UHFFFAOYSA-N
Molecular formula: C9H9NO2
Average molar mass: 163.17 g/mol
Monoisotopic mass: 163.06332853

Names & identifiers

Preferred name: N-(2-formylphenyl)acetamide
IUPAC: N-(2-formylphenyl)acetamide
English name: N-(2-formylphenyl)acetamide
Molecular formula: C9H9NO2
Molecular weight: 163.17

Names & synonyms

N-(2-formylphenyl)acetamideDTXSID40315983RefChem:825414DTXCID50267106695-135-013493-47-5N-(2-Formyl-phenyl)-acetamide2-acetamidobenzaldehydeMFCD06739581acetamidobenzaldehydeAS-59137CS-0197889

Show more names

Acetamide, N-(2-formylphenyl)-

T7022410.14272/OWMJAQBUFVTERI-UHFFFAOYSA-N.1N-(2-Formyl-phenyl)acetamideNSC298345OWMJAQBUFVTERI-UHFFFN-acetyl-2-aminobenzaldehydeSCHEMBL553679SCHEMBL553680

Database identifiers

CAS: 13493-47-5
PubChem CID: 326664
DTXSID: DTXSID40315983
EC Number: 695-135-0
Nikkaji: J81.628K

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 65 to · 65.0 to 69.0 °C
Boiling point: 103 °C/0.2mmHg · 103°C/0.2mmHg(lit.)
Density: 1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
pka: 14.61 · 14.61±0.70(Predicted)
color: White to Yellow
λmax: 223 nm · 223nm(MeOH)(lit.)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
HS Code: 2924.29 · 2924.29.7790

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2924.29.7790
Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405