Basic information
- CAS
20345-62-4- Standard SMILES
CC=C(C(=O)OCC)P(=O)(OCC)OCC- InChIKey
LKGVVQTVNFFWAT-UHFFFAOYSA-N- Molecular formula
- C10H19O5P
- Average molar mass
- 250.23 g/mol
- Monoisotopic mass
- 250.0970107
Names & identifiers
- Preferred name
- Ethyl 2-(diethoxyphosphinyl)but-2-enoate
- IUPAC
- ethyl 2-diethoxyphosphorylbut-2-enoate
- English name
- Triethyl 4-phosphonocrotonatedisc 6/01
- Molecular formula
- C10H19O5P
- Molecular weight
- 250.23
Names & synonyms
20345-62-4Ethyl 2-(diethoxyphosphinyl)but-2-enoateethyl 2-diethoxyphosphorylbut-2-enoateLDZ2K3Y3H4Ethyl 2-(diethoxyphosphinyl)-2-butenoateethyl 2-(diethoxyphosphoryl)but-2-enoateUNII-LDZ2K3Y3H4SCHEMBL30229854DTXSID10942503LKGVVQTVNFFWAT-UHFFFAOYSA-NEINECS 243-748-5NS00050886
Show more names
TRIETHYL-4-PHOSPONOCROTONATETriethyl 4-phosphonocrotonatedisc 6/01Tthyl 2-(diethoxyphosphinyl)but-2-enoateEthyl (2E)-4-(diethoxyphosphoryl)-2-butenoate4-(Diethoxyphosphinyl)-2-butenoic acid ethyl ester2-Butenoic acid, 2-(diethoxyphosphinyl)-, ethyl ester[3-(Ethoxycarbonyl)allyl]phosphonic acid diethyl ester4-Phosphonocrotonic acid triethyl ester~Triethyl trans-4-phosphono-2-butenoate
Database identifiers
- CAS
20345-62-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 133 · 133-135°C 0,4mm
- Density
- 1 · 1,13 g/cm3
- Flash point
- 110 °C · >110°C
- FDA UNII
- 2 K3Y3H4 · LDZ2K3Y3H4
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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