Basic information
- CAS
166272-81-7- Standard SMILES
COC(=O)c1ccc(Cl)c(O)c1- InChIKey
JTYWGSFSTNIJTA-UHFFFAOYSA-N- Molecular formula
- C8H7ClO3
- Average molar mass
- 186.59 g/mol
- Monoisotopic mass
- 186.00837176
Names & identifiers
- Preferred name
- Methyl 4-chloro-3-hydroxybenzoate
- IUPAC
- methyl 4-chloro-3-hydroxybenzoate
- English name
- 4-CHLORO-3-HYDROXY-BENZOIC ACID METHYL ESTER
- Molecular formula
- C8H7ClO3
- Molecular weight
- 186.59
Names & synonyms
Methyl 4-chloro-3-hydroxybenzoate166272-81-7Methyl4-Chloro-3-hydroxybenzoate4-CHLORO-3-HYDROXY-BENZOIC ACID METHYL ESTERMFCD115059684-Chloro-3-hydroxybenzoic Acid Methyl EsterBenzoic acid, 4-chloro-3-hydroxy-, methyl esterMethyl 4-chloro-3-hydroxy-benzoateMethyl 4-chloro-3-hydroxy-SCHEMBL560243DTXSID00473735JTYWGSFSTNIJTA-UHFFFAOYSA-N
Show more names
AKOS006325459AB64117CS-W003784FC76172FS-3726SY023753DB-064607EN300-1178559
Database identifiers
- CAS
166272-81-7- PubChem CID
- 11819787
- DTXSID
DTXSID00473735
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Boiling point
- 288.3 · 288.3±20.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.68 · 7.68±0.10(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918290090 · 2918290090
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
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-3-hydroxybenzoic Acid Methyl Ester id used in the synthesis of antidepressants.
Upstream & downstream products
Upstream raw materials
Suppliers47 total
上海康恩博医药科技有限公司17510465506 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
10 records
Compound notes
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