Basic information
- CAS
5762-35-6- Standard SMILES
CC(=O)OC(C#N)c1ccccc1- InChIKey
MUXDFYRMYMEGCM-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- Cyano(phenyl)methyl acetate
- IUPAC
- [cyano(phenyl)methyl] acetate
- English name
- alpha-Acetoxyphenylacetonitrile
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.19
Names & synonyms
alpha-Acetoxyphenylacetonitrile5762-35-6cyano(phenyl)methyl acetate[cyano(phenyl)methyl] acetateMFCD22205885NSC75733O-acetylmandelonitrile(cyano-phenylmethyl) acetateNCIOpen2_000939(R)-a-acetoxyphenylacetonitrileSCHEMBL2835326MUXDFYRMYMEGCM-UHFFFAOYSA-
Show more names
α-AcetoxyphenylacetonitrileBenzeneacetonitrile, α-(acetyloxy)-
DTXSID70291463NSC-75733AKOS023253499AS-31685SY019891DB-061607DB-369796CS-0453793
Database identifiers
- CAS
5762-35-6- PubChem CID
- 253159
- DTXSID
DTXSID70291463- Nikkaji
- J325.268J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 207 · 207-210 °C
- Boiling point
- 131 °C · 131 °C(Press: 12 Torr)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
韶远科技（上海）有限公司4000665055 · [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]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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