Basic information
- CAS
2286-56-8- Standard SMILES
CCOC(=O)C(C#N)=Cc1ccc2c(c1)OCO2- InChIKey
RYGTWDAUOUMNRA-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
- IUPAC
- ethyl 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
- English name
- Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyanoacrylate
- Molecular formula
- C13H11NO4
- Molecular weight
- 245.23
Names & synonyms
ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoateMFCD00022988ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoateSCHEMBL8366345ethyl 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoateDTXSID801222233AKOS025243233DB-046009Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoateethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoateBRN 0089472RARECHEM AK ML 0021
Show more names
Ethyl 3-(benzo[d][1,3]dioxol-5-yl)ETHYL ALPHA-CYANO-3,4-METHYLENEDIOXYCINNAMATEEthyl 3-(1,3-benzodioxol-5-yl)-2-cyanoacrylateEthyl 3-(benzo[d][1,3]dioxol-5-yl)-2-cyanoacrylateα-Cyano-1,3-benzodioxole-5-acrylic acid ethyl esteralpha-cyano-3,4-methylenedioxy-cinnamicaciethylesteralpha-cyano-3,4-methylenedioxycinnamicacidethylester
Database identifiers
- CAS
2286-56-8- PubChem CID
- 16796
- DTXSID
DTXSID801222233
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 95 · 95-97°C
- Boiling point
- 397.1 · 397.1±30.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2932990090 · 2932990090
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
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
韶远科技（上海）有限公司4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…