Basic information
- CAS
7606-87-3- Standard SMILES
COC(=O)c1cc(Cl)cc(Cl)c1O- InChIKey
WFPHSUSTKMYQDI-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O3
- Average molar mass
- 221.03 g/mol
- Monoisotopic mass
- 219.9693994
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dichloro-2-hydroxy-, methyl ester
- IUPAC
- methyl 3,5-dichloro-2-hydroxybenzoate
- English name
- 3,5-Dichloro-2-hydroxybenzoic acid methyl ester
- Molecular formula
- C8H6Cl2O3
- Molecular weight
- 221.04
Names & synonyms
7606-87-3Benzoic acid, 3,5-dichloro-2-hydroxy-, methyl ester3,5-Dichlorosalicylic acid, methyl esterDTXSID6064747Salicylic acid, 3,35-dichloro-, methyl esterRefChem:565729DTXCID3047843methyl 3,5-dichloro-2-hydroxybenzoateMFCD00464939methyl 3,5-dichlorosalicylateMethyl-3,5-dichlorosalicylateSCHEMBL423691
Show more names
Methyl3,5-dichloro-2-hydroxybenzoate97%Methyl 3,5-dichloro-2-hydroxybenzoate 97%3,5-Dichloro-2-hydroxybenzoic acid methyl esterMethyl 3,5-dichlorosalicylate, 2,4-Dichloro-6-(methoxycarbonyl)phenol
HMS1594C02STK366876methyl3,5-dichloro-2-hydroxybenzoateAKOS005443721methyl 3,5-dichloro-2-hydroxy-benzoateSY481312DB-158362CS-0317203
Database identifiers
- CAS
7606-87-3- PubChem CID
- 82082
- DTXSID
DTXSID6064747- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 279.7 · 279.7±35.0 °C(Predicted)
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- pka
- 7.85 · 7.85±0.23(Predicted)
- form
- crystalline solid
- color
- White
- EPA Substance Registry System
- 3 · Benzoic acid, 3,5-dichloro-2-hydroxy-, methyl ester (7606-87-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
- 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
- tsca
- TSCA listed
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,5-dichloro-2-hydroxy-, methyl ester: INACTIVE
Upstream & downstream products
Downstream products
Suppliers4 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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