Basic information
- CAS
13031-39-5- Standard SMILES
CC(=O)Oc1cccc(Cl)c1- InChIKey
GQTKYLQYHPTULY-UHFFFAOYSA-N- Molecular formula
- C8H7ClO2
- Average molar mass
- 170.59 g/mol
- Monoisotopic mass
- 170.0134572
Names & identifiers
- Preferred name
- 3-Chlorophenyl acetate
- IUPAC
- (3-chlorophenyl) acetate
- English name
- 3-Chlorophenol acetate
- Molecular formula
- C8H7ClO2
- Molecular weight
- 170.59
Names & synonyms
3-Chlorophenyl acetate13031-39-5Acetic acid, 3-chlorophenyl ester1-ACETOXY-3-CHLOROBENZENEAcetic acid,3-chlorophenyl esterDTXSID60879335RefChem:93528DTXCID701017348603-403-5GQTKYLQYHPTULY-UHFFFAOYSA-NInChI=1/C8H7ClO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3-CHLOROPHENOL ACETATE
Show more names
Urea,N,N-dimethyl-N'2-(3-chlorophenyl)acetatePhenyl Acetate Impurity 87-[octahydro-4,7-methano-1H-inden-1(or2)-yl]-
(3-chlorophenyl) acetateMFCD001425773-chlorophenylacetate1-Chloro-3-acetoxybenzeneAcetic acid 3-chlorophenylAcetic acid 3-chlorophenyl esterm-chlorophenyl acetate5-acetoxyphenyl chloride
Database identifiers
- CAS
13031-39-5- PubChem CID
- 83061
- DTXSID
DTXSID60879335- ChEMBL
CHEMBL456664- EC Number
- 603-403-5
- Nikkaji
- J47.052J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.32
Physicochemical properties
- Boiling point
- 108 °C · 108 °C
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
13 records
Compound notes
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