2-chloro-N-(4-cyanophenyl)acetamide
Basic information
- CAS
114807-80-6- Standard SMILES
N#Cc1ccc(NC(=O)CCl)cc1- InChIKey
YEIVRXRLRGZADN-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- 2-chloro-N-(4-cyanophenyl)acetamide
- IUPAC
- 2-chloro-N-(4-cyanophenyl)acetamide
- English name
- 2-Chloro-N-(4-cyano-phenyl)-acetamide
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.62
Names & synonyms
2-chloro-N-(4-cyanophenyl)acetamide114807-80-6DTXSID50366784RefChem:259357DTXCID60317823854-727-02-Chloro-N-(4-cyano-phenyl)-acetamideMFCD00297053ZINC2761142Acetamide, 2-chloro-N-(4-cyanophenyl)-ZINC027611422chloroN(4cyanophenyl)acetamide
Show more names
ST54288682-chloro-N-(4-cyanophenyl)ethanamide
SCHEMBL1720835CHEMBL5421507YEIVRXRLRGZADN-UHFFFAOYSA-NALBB-019139N-(2-chloroacetyl)-4-cyanoanilineSBB072143STK281042AKOS000100131
Database identifiers
- CAS
114807-80-6- PubChem CID
- 2168015
- DTXSID
DTXSID50366784- ChEMBL
CHEMBL5421507- EC Number
- 854-727-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 423.4 · 423.4±30.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 11.87 · 11.87±0.70(Predicted)
- Comptox DTXSID
- 50366784 · DTXSID50366784
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H332-H315-H312-H302-H318
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
- HS Code
- 2926909090 · 2926909090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- 2926909090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H332-H315-H312-H302-H318
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Related reactions
8 records
Compound notes
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