Basic information
- CAS
13031-41-9- Standard SMILES
CC(=O)Oc1ccc(C#N)cc1- InChIKey
CJGXWABHYYJNJH-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767847
Names & identifiers
- Preferred name
- p-Cyanophenyl acetate
- IUPAC
- (4-cyanophenyl) acetate
- English name
- 4-cyanophenyl acetate
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
4-Cyanophenyl acetate13031-41-9p-Cyanophenyl acetate4-AcetoxybenzonitrileBenzonitrile, 4-(acetyloxy)-EEL1PCP8AM4-(Acetyloxy)benzonitrileEINECS 235-893-8P-ACETOXYBENZONITRILEBenzonitrile, p-hydroxy-, acetate (ester)DTXSID8027741EC 235-893-8
Show more names
1-Cyano-4-acetoxybenzene1-Acetoxy-4-cyanobenzene4-Acetoxybenzonitrile,97%Acetic acid p-cyanophenyl ester
BENZONITRILE, P-HYDROXY-, ACETATERefChem:858047DTXCID707741235-893-8(4-cyanophenyl) acetateMFCD00129158UNII-EEL1PCP8AM4-cyanophenylacetate
Database identifiers
- CAS
13031-41-9- PubChem CID
- 83062
- DTXSID
DTXSID8027741- UNII
- EEL1PCP8AM
- EC Number
- 235-893-8
- Nikkaji
- J270.066B
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- 208
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 149 · 149-150 °C(Press: 14 Torr)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- FDA UNII
- 1 PCP8AM · EEL1PCP8AM
- EPA Substance Registry System
- 4 · Benzonitrile, 4-(acetyloxy)- (13031-41-9)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- TSCA
- TSCA listed
- HS Code
- 2926907090 · 2926907090
- REACH Registrations
- Inactive
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+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
Regulatory InformationREACH registered substance: 4-cyanophenyl acetate (EC: 235-893-8)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 4-(acetyloxy)-: INACTIVE
Applications
Uses4-Acetoxybenzonitrile is used as an organic chemical synthesis intermediate.
Upstream & downstream products
Downstream products
Suppliers17 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
Related reactions
1 records
Compound notes
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