Basic information
- CAS
149952-37-4- Standard SMILES
N#C[C@H](O)c1ccc(F)cc1- InChIKey
UWDPUVCVIQXYQR-QMMMGPOBSA-N- Molecular formula
- C8H6FNO
- Average molar mass
- 151.14 g/mol
- Monoisotopic mass
- 151.04334198
Names & identifiers
- Preferred name
- (R)-2-(4-Fluorophenyl)-2-hydroxyacetonitrile
- IUPAC
- (2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile
- English name
- Benzeneacetonitrile, 4-fluoro-alpha-hydroxy-, (alphaR)- (9CI)
- Molecular formula
- C8H6FNO
- Molecular weight
- 151.14
Names & synonyms
149952-37-4(2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile(R)-2-(4-Fluorophenyl)-2-hydroxyacetonitrileBenzeneacetonitrile, 4-fluoro-alpha-hydroxy-, (alphaR)- (9CI)EN300-7755080(R)-2-hydroxy-2-(4-fluorophenyl)acetonitrileBenzeneacetonitrile, 4-fluoro-α-hydroxy-, (αR)-
Database identifiers
- CAS
149952-37-4- PubChem CID
- 11275111
- EC Number
- 185-762-3
- Nikkaji
- J1.568.822J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 283.7 · 283.7±25.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 10.43 · 10.43±0.20(Predicted)
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%)
Chemistry & industry
Suppliers2 total
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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