2-Cyanophenyl acetate
Basic information
- CAS
5715-02-6- Standard SMILES
CC(=O)Oc1ccccc1C#N- InChIKey
XXLKCUTUGWSJJO-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767847
Names & identifiers
- Preferred name
- 2-Cyanophenyl acetate
- IUPAC
- (2-cyanophenyl) acetate
- English name
- 2-Acetoxybenzonitrile
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
2-Cyanophenyl acetate5715-02-62-(Acetyloxy)benzonitrileDTXSID40205779EINECS 227-210-7RefChem:470754DTXCID20128270227-210-72-Acetoxybenzonitrile(2-cyanophenyl) acetateMFCD00017360o-acetoxybenzonitrile
Show more names
2-Cyanophenylacetate98%2-Acetoxybenzonitrile 98%2-Cyanophenyl acetate 98%2-Acetoxybenzonitrile >Benzonitrile, 2-(acetyloxy)-2-ACETOXYBENZONITRILE, 99.5+%
Benzonitrile, 2-(acetyloxy)-Acetic Acid 2-Cyanophenyl EsterSalicylonitrile, acetateSCHEMBL5473941A1118CS-0155011Acetylsalicylonitrile2-Cyanophenyl acetate #
Database identifiers
- CAS
5715-02-6- PubChem CID
- 79791
- DTXSID
DTXSID40205779- UNII
- J24J523HA9
- EC Number
- 227-210-7
- Nikkaji
- J207.974G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.33
Physicochemical properties
- Melting point
- 252 · 252-254 °C
- Boiling point
- 119 · 119-121
- Density
- 1.14 · 1.14
- refractive index
- 1.515 · 1.5150-1.5170
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- CAS DataBase Reference
- 5715 · 5715-02-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H301-H311-H332-H335
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, P321, P330, P332+P317, P337+P317, P362+P364, 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
- hs_code
- 29269090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H301-H311-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P301+P310a-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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