Basic information
- CAS
18733-15-8- Standard SMILES
COC(=O)CCP(=O)(OC)OC- InChIKey
DUCGXDQPWFCMNZ-UHFFFAOYSA-N- Molecular formula
- C6H13O5P
- Average molar mass
- 196.14 g/mol
- Monoisotopic mass
- 196.05006051
Names & identifiers
- Preferred name
- Methyl 3-(dimethoxyphosphinoyl)propionate
- IUPAC
- methyl 3-dimethoxyphosphorylpropanoate
- English name
- Dimethyl[2-(methoxycarbonyl)ethyl]phosphonate
- Molecular formula
- C6H13O5P
- Molecular weight
- 196.14
Names & synonyms
Methyl 3-(dimethoxyphosphinoyl)propionateP77A23KM7VPropanoic acid, 3-(dimethoxyphosphinyl)-, methyl esterEINECS 242-543-8DTXSID90172043METHYL 3-(DIMETHOXYPHOSPHINYL)PROPANOATERefChem:157430DTXCID4094534242-543-818733-15-8methyl 3-(dimethoxyphosphoryl)propanoatemethyl 3-dimethoxyphosphorylpropanoate
Show more names
AURORA KA-1468Trimethyl (2-carboxyethyl)phosphonate2- (methoxycarbonyl) ethyl] dimethyl phosphate3-(Dimethoxyphosphinyl)propanoic acid methyl esterDimethyl[2-(methoxycarbonyl)ethyl]phosphonate, 98 %
DIMETHYL[2-(METHOXYCARBONYL)ETHYL]PHOSPHONATEMFCD00137948Methyl 3-(dimethoxyphosphinyl)propionateUNII-P77A23KM7VSCHEMBL816663AKOS017343536DB-351212CS-0328440
Database identifiers
- CAS
18733-15-8- PubChem CID
- 87769
- DTXSID
DTXSID90172043
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 137 · 137-138℃ (10 Torr)
- Density
- 1.217 g/cm3 · 1.2170 g/cm3(Temp: 420 °C)
- refractive index
- 1.439 · 1.4390 (589.3 nm 20℃)
- form
- liquid
- color
- Clear colourless
- InChI
- InChI=1S/C6H13O5P/c1-9-6(7)4-5-12(8,10-2)11-3/h4-5H2,1-3H3
- InChIKey
- DUCGXDQPWFCMNZ-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CCP(OC)(OC)=O
- FDA UNII
- 77 A23KM7V · P77A23KM7V
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Risk Statements
- 36 · 36/37/38
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
- wgk
- WGK 3
- hs_code
- 2931499090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers28 total
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
山东中图化工有限公司17864755731 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
河南氢硅新材料科技有限公司00-18037331-859 18037331859 · [email protected]
江西伯业医药科技有限公司027-18971341812/18971341812 18971341812 · [email protected]
Related reactions
5 records
Compound notes
Loading…