Basic information
- CAS
35704-19-9- Standard SMILES
CC(=O)Nc1ccc(C#N)cc1- InChIKey
UFKRTEWFEYWIHD-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Overview
N1-(4-cyanophenyl)acetamide is a nitrile and a member of benzenes.
Names & identifiers
- Preferred name
- N-(4-cyanophenyl)acetamide
- IUPAC
- N-(4-cyanophenyl)acetamide
- English name
- 4-ACETAMIDOBENZONITRILE
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
N-(4-Cyanophenyl)acetamide35704-19-94-Acetamidobenzonitrile4-CyanoacetanilideAcetamide, N-(4-cyanophenyl)-ACETANILIDE, 4'-CYANO-CX4HYQ9P3JDTXSID20189225NSC-88010RefChem:98648DTXCID50111716252-685-2
Show more names
AKOS B004041N-(4-Cyanophenyl)4’-cyano-acetanilid4’-Cyanoacetanilide4'-Cyanoacetanilide,98%
4'-Cyanoacetanilidep-AcetamidobenzonitirleMFCD00001814p-Cyanoacetanilidep-Acetylamino-benzonitrilep-Acetylamino-benzonitrile [French]NSC 88010p-Acetaminobenzonitrile
Database identifiers
- CAS
35704-19-9- PubChem CID
- 37256
- DTXSID
DTXSID20189225- ChEBI
CHEBI:194990- UNII
- CX4HYQ9P3J
- EC Number
- 252-685-2
- Nikkaji
- J79.135K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.36
Physicochemical properties
- Melting point
- 206 · 206-208 °C(lit.)
- Boiling point
- 392.1 · 392.1±25.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.09 · 14.09±0.70(Predicted)
- form
- Crystalline Powder and Chunks
- color
- Off-white
- CAS DataBase Reference
- 35704 · 35704-19-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 HYQ9P3J · CX4HYQ9P3J
- Symbol(GHS)
- 7 · GHS07
- Signal word
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- AE1846000
- ridadr
- 3276
- hs_code
- 29269095
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-28-36/37/39-45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers55 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Related reactions
10 records
Compound notes
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