Basic information
- CAS
1735-96-2- Standard SMILES
N#CCC(=O)Nc1ccccc1F- InChIKey
RDAXFILTEIFLSA-UHFFFAOYSA-N- Molecular formula
- C9H7FN2O
- Average molar mass
- 178.16 g/mol
- Monoisotopic mass
- 178.05424101
Names & identifiers
- Preferred name
- 2-cyano-N-(2-fluorophenyl)acetamide
- IUPAC
- 2-cyano-N-(2-fluorophenyl)acetamide
- English name
- 2-Cyano-N-(2-fluoro-phenyl)-acetamide
- Molecular formula
- C9H7FN2O
- Molecular weight
- 178.16
Names & synonyms
2-cyano-N-(2-fluorophenyl)acetamide1735-96-2DTXSID30351653RefChem:259647DTXCID60302719Acetamide, 2-cyano-N-(2-fluorophenyl)-2-Cyano-N-(2-fluoro-phenyl)-acetamideMFCD008071162-Cyano-N-(2-fluorophenyl)-acetamideMaybridge1_001484Oprea1_539391Oprea1_735409
Show more names
AIDS416170IVK/8170085AIDS-416170ZINC000919982-cyano-N-(2-fluorophenyl)ethanamide
SCHEMBL11031904HMS545L10ALBB-008513STK401512AKOS000115264LS-02931CS-0448178ST45152928
Database identifiers
- CAS
1735-96-2- PubChem CID
- 706147
- DTXSID
DTXSID30351653- EC Number
- 103-677-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 384.4 · 384.4±27.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- -1.48 · -1.48±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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, 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [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]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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