Basic information
- CAS
6876-54-6- Standard SMILES
Cc1ccc(NC(=O)CC#N)cc1- InChIKey
QJUSLYUHZWAKLF-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 2-cyano-N-(4-methylphenyl)acetamide
- IUPAC
- 2-cyano-N-(4-methylphenyl)acetamide
- English name
- 2-Cyano-N-p-tolyl-acetamide
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
2-cyano-N-(4-methylphenyl)acetamide6876-54-6DTXSID20351187RefChem:259667DTXCID603022542-cyano-N-(p-tolyl)acetamide2-Cyano-N-p-tolyl-acetamideMFCD004565062-Cyano-N-(4-methylphenyl)-acetamideAcetamide, 2-cyano-N-(4-methylphenyl)-Aficamten Impurity 222-cyano-N-p-tolylacetamide
Show more names
2-cyano-N-(4-methylphenyl)ethanamide
Oprea1_763880Oprea1_831424IFLab1_000577SCHEMBL6318825SKL905CHEMBL3334610HMS1413K05ALBB-008514
Database identifiers
- CAS
6876-54-6- PubChem CID
- 693152
- DTXSID
DTXSID20351187- ChEMBL
CHEMBL3334610- EC Number
- 101-526-4
- Nikkaji
- J2.183.071B
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 220
Physicochemical properties
- Boiling point
- 397.9 · 397.9±25.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- -0.91 · -0.91±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HazardClass
- IRRITANT
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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2-Cyano-N-(4-methylphenyl)acetamide is a useful synthetic intermediate. It is used in the synthesis of cyclohexyl-dihydrofuranamide and tetrasubstituted pyridopyrimidinones with antibacterial activies.
Upstream & downstream products
Downstream products
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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