Basic information
- CAS
4672-30-4- Standard SMILES
O=P(O)(O)CCc1ccccc1- InChIKey
BFDYSJCMAFSRDH-UHFFFAOYSA-N- Molecular formula
- C8H11O3P
- Average molar mass
- 186.14 g/mol
- Monoisotopic mass
- 186.04458121
Names & identifiers
- Preferred name
- Phenylethanephosphonic acid
- IUPAC
- 2-phenylethylphosphonic acid
- English name
- (2-phenylethyl)phosphonic acid
- Molecular formula
- C8H11O3P
- Molecular weight
- 186.14
Names & synonyms
4672-30-4(2-Phenylethyl)phosphonic acidRYS2CJ2L67NSC-140288DTXSID80196930Phenylethanephosphonic acidRefChem:1095039DTXCID20119421225-120-2phenethylphosphonic acid2-phenylethylphosphonic acidMFCD00485102
Show more names
Phenethyl-phosphonic acid2-Phenethyl-phosphonic acid(2-Phenylethyl)phosphonicAcid>Phosphonic acid, P-(2-phenylethyl)-Phosphonic acid,(2-phenylethyl)- (9CI)
phenethylphosphonicacidEINECS 225-120-2UNII-RYS2CJ2L67SCHEMBL1101314Phosphonic acid, (2-phenylethyl)-NSC140288P-(2-PHENYLETHYL)PHOSPHONIC ACIDAS-58226
Database identifiers
- CAS
4672-30-4- PubChem CID
- 78404
- DTXSID
DTXSID80196930- ChEMBL
CHEMBL1801643- UNII
- RYS2CJ2L67
- EC Number
- 225-120-2
- Nikkaji
- J297.883K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 136 to · 136.0 to 140.0 °C
- Boiling point
- 386.4 · 386.4±35.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- form
- powder to crystal
- pka
- 2.45 · 2.45±0.10(Predicted)
- color
- White to Light yellow to Light orange
- FDA UNII
- 2 CJ2L67 · RYS2CJ2L67
- HS Code
- 2931.39 · 2931.39.0030
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
- 2931.39.0030
Chemistry & industry
Applications
Uses(2-Phenylethyl)phosphonic Acid is used in the preparation of adaptive vesicular amphiphilic baskets which act as detection and mitigation of toxic nerve agents.
Suppliers33 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
安庆东禾生物技术有限公司15056029383 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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