Basic information
- CAS
15945-28-5- Standard SMILES
CCOC(=O)c1cc(Cl)c(OC)c(Cl)c1- InChIKey
VKISJJBQCWTCFE-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O3
- Average molar mass
- 249.09 g/mol
- Monoisotopic mass
- 248.0006996
Names & identifiers
- Preferred name
- Ethyl 3,5-dichloro-4-methoxybenzoate
- IUPAC
- ethyl 3,5-dichloro-4-methoxybenzoate
- English name
- 3,5-Dichloro-4-methoxybenzoic acid ethyl ester
- Molecular formula
- C10H10Cl2O3
- Molecular weight
- 249.09
Names & synonyms
Ethyl 3,5-dichloro-4-methoxybenzoate15945-28-5Benzoic acid, 3,5-dichloro-4-methoxy-, ethyl ester3,5-Dichloro-4-methoxybenzoic acid ethyl esterMFCD00017265EINECS 240-080-6SCHEMBL3243690DTXSID50166665AKOS017265776ethyl 3,5-dichloro-4-methoxy-benzoateFE67180CS-0191765
Show more names
RMA-794Dotinurad Impurity 55Dotinurad Impurity 148
NS00025190E89336F629588
Database identifiers
- CAS
15945-28-5- PubChem CID
- 85200
- DTXSID
DTXSID50166665- EC Number
- 240-080-6
- Nikkaji
- J219.908D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 60 · 60-61 °C(Solv: ethanol (64-17-5))
- Boiling point
- 339 · 339.0±37.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers17 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京威诺德医药技术有限公司15189836218 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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