Basic information
- CAS
98406-04-3- Standard SMILES
COC(=O)c1cc(O)cc(Cl)c1- InChIKey
AUILWNSXFXPDID-UHFFFAOYSA-N- Molecular formula
- C8H7ClO3
- Average molar mass
- 186.59 g/mol
- Monoisotopic mass
- 186.0083718
Names & identifiers
- Preferred name
- Methyl 3-chloro-5-hydroxybenzoate
- IUPAC
- methyl 3-chloro-5-hydroxybenzoate
- English name
- 3-Chloro-5-hydroxybenzoic acid methyl ester
- Molecular formula
- C8H7ClO3
- Molecular weight
- 186.59
Names & synonyms
METHYL 3-CHLORO-5-HYDROXYBENZOATE98406-04-3DTXSID60467211RefChem:354939DTXCID504180303-CHLORO-5-HYDROXY-BENZOIC ACID METHYL ESTER3-Chloro-5-hydroxybenzoic acid methyl esterMFCD12407235SCHEMBL5185978AKOS022642334SB40350AS-47389
Show more names
TIANFU-CHEM 98406-04-3 3-Chloro-5-hydroxybenzoic acid methyl ester
CS-0150830F13564FT-0741786AUILWNSXFXPDID-UHFFFAOBenzoic acid, 3-chloro-5-hydroxy-, methyl esterAUILWNSXFXPDID-UHFFFAOYSA-NMETHYL3-CHLORO-5-HYDROXYBENZOATEDA-32709
Database identifiers
- CAS
98406-04-3- PubChem CID
- 11480892
- DTXSID
DTXSID60467211- Nikkaji
- J1.923.590D
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 133 · 133-135℃
- Boiling point
- 322 ℃ · 322℃
- Density
- 1.354 · 1.354
- Flash point
- 149 ℃ · 149℃
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- HS Code
- 2918290090 · 2918290090
Safety & regulation
Safety data
- hs_code
- 2918290090
Chemistry & industry
Suppliers33 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
Related reactions
1 records
Compound notes
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