Basic information
- CAS
26930-49-4- Standard SMILES
O=C(Cl)C=Cc1ccc2c(c1)OCO2- InChIKey
WBJQTHIVYWAEDD-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3
- Average molar mass
- 210.61 g/mol
- Monoisotopic mass
- 210.0083718
Names & identifiers
- Preferred name
- 3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl chloride
- IUPAC
- 3-(1,3-benzodioxol-5-yl)prop-2-enoyl chloride
- English name
- 3-(1,3-Benzodioxol-5-yl)-2-propenoyl chloride
- Molecular formula
- C10H7ClO3
- Molecular weight
- 210.61
Names & synonyms
3-(1,3-Benzodioxol-5-yl)acryloyl chloride3-(1,3-benzodioxol-5-yl)prop-2-enoyl chlorideSCHEMBL1232929SCHEMBL30579629DTXSID00696447WBJQTHIVYWAEDD-UHFFFAOYSA-NAKOS0302302693-Benzo[1,3]dioxol-5-yl-acryloyl chloride3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl chloridePiperonyliden acetyl chloride3-(1,3-Benzodioxol-5-yl)-2-propenoyl chloride3-(3,4-Methylenedioxyphenyl)propenoyl chloride
Show more names
2-Propenoyl chloride, 3-(1,3-benzodioxol-5-yl)-(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl chloride
Database identifiers
- CAS
26930-49-4- PubChem CID
- 53411279
- DTXSID
DTXSID00696447
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 200 · 200-201 °C
- Boiling point
- 332.6 · 332.6±11.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
5 records
Compound notes
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