Acetamide, N-(4-chlorophenyl)-2-cyano-
Basic information
- CAS
17722-17-7- Standard SMILES
N#CCC(=O)Nc1ccc(Cl)cc1- InChIKey
FLLVVAHFEBGZKD-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- Acetamide, N-(4-chlorophenyl)-2-cyano-
- IUPAC
- N-(4-chlorophenyl)-2-cyanoacetamide
- English name
- 4'-Chloro-2-cyanoacetanilide
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.62
Names & synonyms
N-(4-Chlorophenyl)-2-cyanoacetamideAcetamide, N-(4-chlorophenyl)-2-cyano-4'-Chloro-2-cyanoacetanilide4-Chlorocyanoacetanilide2-Cyano-N-(4-chlorophenyl)-acetamidep-chlorocyanoacetanilide5B6RP9K465EINECS 241-720-7DTXSID9066253n-(4-chlorophenyl)cyanoacetamide4-Chloro-.alpha.-cyanoacetanilideCYANOACETIC ACID P-CHLOROANILIDE
Show more names
SKL829CBI-BB ZERO/005581TIMTEC-BB SBB003598OTAVA-BB BB7110950309Chloro-2-cyanoacetanilideP-CHLORO CYANO ACETANILIDE-Chloro-2-cyanoacetanilide
N-(4-CHLOROPHENYL)-.ALPHA.-CYANOACETAMIDERefChem:1088464-Chloro-alpha-cyanoacetanilideDTXCID8035639N-(4-CHLOROPHENYL)-ALPHA-CYANOACETAMIDEFLLVVAHFEBGZKD-UHFFFAOYSA-N17722-17-7MFCD00036015
Database identifiers
- CAS
17722-17-7- PubChem CID
- 87269
- DTXSID
DTXSID9066253- UNII
- 5B6RP9K465
- EC Number
- 241-720-7
- Nikkaji
- J287.135A
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- Melting point
- 207 · 207-209 °C(lit.)
- Boiling point
- 427.4 · 427.4±30.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -1.22 · -1.22±0.10(Predicted)
- Appearance
- Light brown to yellow Solid
- CAS DataBase Reference
- 17722 · 17722-17-7(CAS DataBase Reference)
- FDA UNII
- 5 B6RP9K465 · 5B6RP9K465
- EPA Substance Registry System
- Acetamide, N-(4-chlorophenyl)-2-cyano- (17722-17-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
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
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Acetamide, N-(4-chlorophenyl)-2-cyano-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(4-chlorophenyl)-2-cyano-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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