Basic information
- CAS
30714-88-6- Standard SMILES
COC(=O)c1cc(OC)c(OC)cc1Cl- InChIKey
MILQCPLGDKGVOQ-UHFFFAOYSA-N- Molecular formula
- C10H11ClO4
- Average molar mass
- 230.64 g/mol
- Monoisotopic mass
- 230.0345865
Names & identifiers
- Preferred name
- Methyl 2-chloro-4,5-dimethoxybenzoate
- IUPAC
- methyl 2-chloro-4,5-dimethoxybenzoate
- English name
- Benzoic acid,2-chloro-4,5-dimethoxy-, methyl ester
- Molecular formula
- C10H11ClO4
- Molecular weight
- 230.64
Names & synonyms
methyl 2-chloro-4,5-dimethoxybenzoate30714-88-6METHYL 6-CHLORO-3,4-DIMETHOXYBENZOATEBenzoic acid, 2-chloro-4,5-dimethoxy-, methyl esterMethyl 6-chloroveratrateDTXSID30184741MFCD15530341methyl2-chloro-4,5-dimethoxybenzoateCS-0365205H73697METHYL 2-CHLORO-4,5-DIMETHOXY-BENZOATEF043418
Show more names
Benzoic acid,2-chloro-4,5-dimethoxy-, methyl ester
Database identifiers
- CAS
30714-88-6- PubChem CID
- 35449
- DTXSID
DTXSID30184741- Nikkaji
- J1.614.817B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 82 · 82-84°
- 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
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers3 total
安徽合诺生物科技有限公司18455579438
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [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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