Nsc287557
Basic information
- CAS
72030-15-0- Standard SMILES
N#C/C(=C/c1ccco1)c1ccc(Cl)cc1- InChIKey
QRCXABRYUUSBED-FLIBITNWSA-N- Molecular formula
- C13H8ClNO
- Average molar mass
- 229.66 g/mol
- Monoisotopic mass
- 229.0294416
Names & identifiers
- Preferred name
- Nsc287557
- IUPAC
- (E)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile
- English name
- alpha-(4-Chlorophenyl)-beta-(2-furyl)acrylonitrile
- Molecular formula
- C13H8ClNO
- Molecular weight
- 229.66172
Names & synonyms
NSC28755772030-15-0DTXSID20351304RefChem:854880DTXCID603023702-(4-Chlorophenyl)-3-(furan-2-yl)acrylonitrileNSC-287557(2E)-2-(4-Chlorophenyl)-3-(furan-2-yl)prop-2-enenitrilealpha-(4-Chlorophenyl)-beta-(2-furyl)acrylonitrileBenzeneacetonitrile, 4-chloro-α-(2-furanylmethylene)-
Database identifiers
- CAS
72030-15-0- PubChem CID
- 696730
- DTXSID
DTXSID20351304- EC Number
- 662-783-0
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 80 · 80-80.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 341.2 · 341.2±37.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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