3-thiophen-2-yl-2H-1,4-benzodioxin-3-ol
Basic information
- CAS
5628-66-0- Standard SMILES
OC1(c2cccs2)COc2ccccc2O1- InChIKey
GSNZIHIQZZJHEL-UHFFFAOYSA-N- Molecular formula
- C12H10O3S
- Average molar mass
- 234.27 g/mol
- Monoisotopic mass
- 234.03506535
Names & identifiers
- Preferred name
- 3-thiophen-2-yl-2H-1,4-benzodioxin-3-ol
- IUPAC
- 3-thiophen-2-yl-2H-1,4-benzodioxin-3-ol
- English name
- 4-Chloro-2,3-dimethylbenzoic acid
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
3-thiophen-2-yl-2H-1,4-benzodioxin-3-olDTXSID80346918RefChem:282738DTXCID20297990GSNZIHIQZZJHEL-UHFFFAOYSA-NBenzo[b]1,4-dioxan-2-ol, 2-(2-thienyl)-E917552-(2-Thienyl)-2,3-dihydro-1,4-benzodioxin-2-ol #2-(Thiophen-2-yl)-2,3-dihydro-1,4-benzodioxin-2-ol4-Chloro-2,3-dimethylbenzoic acidBenzoic acid, 4-chloro-2,3-dimethyl-
Database identifiers
- CAS
5628-66-0- PubChem CID
- 616394
- DTXSID
DTXSID80346918
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 318.5 · 318.5±37.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.7 · 3.70±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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