Basic information
- CAS
945262-03-3- Standard SMILES
CCOC(=O)c1cc(C)ccc1Cl- InChIKey
PMODZEYGPFPRKO-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.04475727
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-methyl-, ethyl ester
- IUPAC
- ethyl 2-chloro-5-methylbenzoate
- English name
- Ethyl 2-chloro-5-methylbenzoate
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
945262-03-3Benzoic acid, 2-chloro-5-methyl-, ethyl esterRefChem:565538Ethyl 2-chloro-5-methylbenzoateMFCD120252152-Chloro-5-methyl-benzoic acid ethyl ester2-Chloro-5-methylbenzoic acid ethyl esterEthyl2-chloro-5-methylbenzoateSCHEMBL2406530ethyl 2-chloro-5-methyl-benzoateDTXSID701022894CS-0330099
Show more names
H724202-Chloro-5-methyl-benzoic acid ethyl ester, 97%
Database identifiers
- CAS
945262-03-3- PubChem CID
- 20729316
- DTXSID
DTXSID701022894- Nikkaji
- J2.489.248D
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
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 271.8 · 271.8±20.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-chloro-5-methyl-, ethyl ester: ACTIVE
Suppliers9 total
安徽合诺生物科技有限公司18455579438
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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