3-chloro-N-phenylpropanamide

HCID 240404

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Basic information

CAS: 3460-04-6
Standard SMILES: O=C(CCCl)Nc1ccccc1
InChIKey: FRXJYUFHAXXSAL-UHFFFAOYSA-N
Molecular formula: C9H10ClNO
Average molar mass: 183.63 g/mol
Monoisotopic mass: 183.04509162

Names & identifiers

Preferred name: 3-chloro-N-phenylpropanamide
IUPAC: 3-chloro-N-phenylpropanamide
English name: 3-Chloro-N-phenylpropanamide
Molecular formula: C9H10ClNO
Molecular weight: 183.63

Names & synonyms

3-Chloro-N-phenylpropanamide3460-04-6DTXSID40286583RefChem:1067620DTXCID40237732138-847-43-Chloro-N-phenylpropionamide3-ChloropropionanilideMFCD000189713-Chloro-N-phenyl-propionamidePropanamide, 3-chloro-N-phenyl-NSC46582

Show more names

3-chloro-N-benzenepropylamine3-Chloro-N-phenylpropionamide 3-Chloropropionanilide

SCHEMBL376976CHEMBL595535SCHEMBL76484503-Chloro-N-phenylpropanamide #SCHEMBL11599170SCHEMBL27726466ALBB-019007NSC-46582

Database identifiers

CAS: 3460-04-6
PubChem CID: 240404
DTXSID: DTXSID40286583
ChEMBL: CHEMBL595535
EC Number: 138-847-4
Nikkaji: J926.512K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 119.5 · 119.5-120.5 °C
Boiling point: 360.2 · 360.2±25.0 °C(Predicted)
Density: 1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 14.2 · 14.20±0.70(Predicted)
Appearance: Off-white to light yellow Powder
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
HS Code: 2924297099 · 2924297099

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, 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: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501