Basic information
- CAS
5406-33-7- Standard SMILES
CC(=O)OCc1ccc(Cl)cc1- InChIKey
MAGQINDMZBNWLG-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0291072
Names & identifiers
- Preferred name
- Benzenemethanol, 4-chloro-, 1-acetate
- IUPAC
- (4-chlorophenyl)methyl acetate
- English name
- 4-Chlorobenzyl acetate
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
4-Chlorobenzyl acetate5406-33-7p-Chlorobenzyl acetateNSC-6987HD3YN6NR24DTXSID80202383Benzenemethanol, 4-chloro-, 1-acetateRefChem:1078524DTXCID80124874226-464-6(4-chlorophenyl)methyl acetateBenzenemethanol, 4-chloro-, acetate
Show more names
AI320493AI3 20493acidp-chlorobenzyl ester4-CHLOROBENZYL ACETATE 96%
MFCD000274064-Chlorobenzenemethanol acetate4-ChlorobenzylacetateAcetic acid p-chlorobenzyl ester1-(Acetoxymethyl)-4-chlorobenzeneEINECS 226-464-6AI3-20493Aceticacid4-chloro-benzylester
Database identifiers
- CAS
5406-33-7- PubChem CID
- 79407
- DTXSID
DTXSID80202383- UNII
- HD3YN6NR24
- EC Number
- 226-464-6
- Nikkaji
- J217.971G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP2.59
Physicochemical properties
- Boiling point
- 78 · 78-81 °C/1 mmHg (lit.)
- Density
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5200(lit.)
- Flash point
- 230 °F · >230 °F
- Specific Gravity
- 1.169 · 1.169
- InChI
- 1S/C9H9ClO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
- InChIKey
- MAGQINDMZBNWLG-UHFFFAOYSA-N
- SMILES
- CC(=O)OCc1ccc(Cl)cc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers18 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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