Basic information
- CAS
1128-76-3- Standard SMILES
CCOC(=O)c1cccc(Cl)c1- InChIKey
LVFRSNCBCHABAM-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.02910721
Names & identifiers
- Preferred name
- Ethyl 3-chlorobenzoate
- IUPAC
- ethyl 3-chlorobenzoate
- English name
- Ethyl 3-chlorobenzoate
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
Ethyl 3-chlorobenzoateBenzoic acid, 3-chloro-, ethyl esterEthyl m-chlorobenzoateBenzoic acid, m-chloro-, ethyl esterAI3-11590EINECS 214-441-3NSC 67339DTXSID101501813-Chlorobenzoic acid, ethyl esterRefChem:138686DTXCID7072672214-441-3
Show more names
RARECHEM AL BI 0056Ethyl 3-chlorobenzoatEthyl 3-Chlorobenzoate >Ethyl 3-chlorobenzoate, 98+%
LVFRSNCBCHABAM-UHFFFAOYSA-N1128-76-33-Chlorobenzoic Acid Ethyl EsterMFCD000136343-chloro-benzoic acid ethyl esterSCHEMBL197307NSC67339Benzoic acid,3-chloro-, ethyl ester
Database identifiers
- CAS
1128-76-3- PubChem CID
- 70785
- DTXSID
DTXSID10150181- EC Number
- 214-441-3
- Nikkaji
- J99.469C
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Boiling point
- 118 · 118-120°C 13mm
- Density
- 1 · 1,186 g/cm3
- refractive index
- 1.522 · 1.5220
- Flash point
- 118 · 118-120°C/13mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- BRN
- 2045877 · 2045877
- CAS DataBase Reference
- 1128 · 1128-76-3(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Benzoic acid, 3-chloro-, ethyl ester (1128-76-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3-chloro-, ethyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers96 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
Related reactions
3 records
Compound notes
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