Basic information
- CAS
254-27-3- Standard SMILES
c1ccc2c(c1)COCO2- InChIKey
TWSIYGATPWEKBK-UHFFFAOYSA-N- Molecular formula
- C8H8O2
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.05242949
Names & identifiers
- Preferred name
- 4H-1,3-Benzodioxin
- IUPAC
- 4H-1,3-benzodioxine
- English name
- 4H-1,3-benzodioxin
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15
Names & synonyms
4H-1,3-Benzodioxin1,3-BenzodioxanUNII-Z0SRY101FXZ0SRY101FXEINECS 205-966-9DTXSID3059763RefChem:100661DTXCID9037294TWSIYGATPWEKBK-UHFFFAOYSA-N254-27-34H-1,3-Benzodioxine1,3-benzdioxin
Show more names
4H-benzo[d][1,3]dioxine
2H,4H-1,3-BenzodioxineSCHEMBL25680SCHEMBL104044SCHEMBL106440SCHEMBL121646SCHEMBL122450SCHEMBL331530SCHEMBL980840
Database identifiers
- CAS
254-27-3- PubChem CID
- 67490
- DTXSID
DTXSID3059763- UNII
- Z0SRY101FX
- EC Number
- 205-966-9
- Nikkaji
- J129.158K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 211 °C · 211 °C
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- FDA UNII
- 0 SRY101FX · Z0SRY101FX
- EPA Substance Registry System
- 4 H-1,3-Benzodioxin · 4H-1,3-Benzodioxin (254-27-3)
- TSCA
- TSCA listed
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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4H-1,3-Benzodioxin: INACTIVE
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
BOC Sciences+1-631-485-4226 · [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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