Basic information
- CAS
54731-72-5- Standard SMILES
COP(=O)(CCO)OC- InChIKey
TZPPDWDHNIMTDQ-UHFFFAOYSA-N- Molecular formula
- C4H11O4P
- Average molar mass
- 154.1 g/mol
- Monoisotopic mass
- 154.03949546
Names & identifiers
- Preferred name
- Dimethyl (2-hydroxyethyl)phosphonate
- IUPAC
- 2-dimethoxyphosphorylethanol
- English name
- Dimethyl 2-hydroxyethylphosphonate
- Molecular formula
- C4H11O4P
- Molecular weight
- 154.1
Names & synonyms
54731-72-5Dimethyl (2-hydroxyethyl)phosphonateEINECS 259-310-1DTXSID20203197RefChem:588085DTXCID20125688259-310-1Dimethyl 2-Hydroxyethylphosphonate2-dimethoxyphosphorylethanolMFCD00043376(2-Hydroxyethyl)phosphonic Acid Dimethyl Ester2-Hydroxyethylphosphonic Acid Dimethyl Ester
Show more names
SKL145Dimethyl 2-phosphonoethanolDimethyl (2-hydroxyethyl)phosphoteDimethyl(2-hydroxyethyll)phosphonateDimethyl(2-hydroxyethyl) phosophonateDimethyl 2-hydroxyethylphosphonate,95%Dimethyl(2-Hydroxyethyl)phosphonate>Dimethyl(2-Hydroxyethoxyll) Phosphonate
SCHEMBL874478TZPPDWDHNIMTDQ-UHFFFAOYSA-hydroxyethyldimethylphosphonic acidAKOS015915772SY0509212-hydroxyethylphosphonic acid dimethylesterH0779NS00033187
Database identifiers
- CAS
54731-72-5- PubChem CID
- 2733833
- DTXSID
DTXSID20203197- EC Number
- 259-310-1
- Nikkaji
- J326.677J
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 98 · 98-104 °C (0.1 mmHg)
- Density
- 1.247 · 1.247
- refractive index
- 1.443 · 1.443-1.446
- Flash point
- 192 °C · 192 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 14.22 · 14.22±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.23 · 1.23
- color
- Clear colorless to slightly yellow
- Water Solubility
- soluble
- CAS DataBase Reference
- 54731 · 54731-72-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (37 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- ridadr
- 3082
- hs_code
- 29319019
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers59 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Related reactions
12 records
Compound notes
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