Basic information
- CAS
1368274-55-8- Standard SMILES
CCOc1ccc(C(=O)OC)c(Cl)c1- InChIKey
QECWYTIASPLJHT-UHFFFAOYSA-N- Molecular formula
- C10H11ClO3
- Average molar mass
- 214.64 g/mol
Names & identifiers
- Preferred name
- Methyl 2-chloro-4-ethoxybenzoate
- IUPAC
- methyl 2-chloro-4-ethoxybenzoate
- English name
- Methyl 2-chloro-4-ethoxybenzoate
- Molecular formula
- C10H11ClO3
- Molecular weight
- 214.65
Names & synonyms
Methyl 2-chloro-4-ethoxybenzoate1368274-55-8MFCD24368737SCHEMBL21447016methyl 2-chloro-4-ethoxy-benzoateCS-0194110E92843Benzoic acid, 2-chloro-4-ethoxy-, methyl ester
Database identifiers
- CAS
1368274-55-8
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 301.3 · 301.3±22.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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