Basic information
- CAS
62778-16-9- Standard SMILES
CCOP(=O)(Cc1ccccc1C)OCC- InChIKey
SAVIMLRIKAZZCZ-UHFFFAOYSA-N- Molecular formula
- C12H19O3P
- Average molar mass
- 242.25 g/mol
- Monoisotopic mass
- 242.1071811
Names & identifiers
- Preferred name
- Phosphonic acid, P-((2-methylphenyl)methyl)-, diethyl ester
- IUPAC
- 1-(diethoxyphosphorylmethyl)-2-methylbenzene
- English name
- (2-Methylbenzyl)phosphonic acid diethyl ester
- Molecular formula
- C12H19O3P
- Molecular weight
- 242.25
Names & synonyms
Phosphonic acid, [(2-methylphenyl)methyl]-, diethyl esterPhosphonic acid, ((2-methylphenyl)methyl)-, diethyl esterPhosphonic acid, P-((2-methylphenyl)methyl)-, diethyl esterPhosphonic acid, P-[(2-methylphenyl)methyl]-, diethyl esterRefChem:86219662778-16-9Diethyl 2-methylbenzylphosphonateDiethyl (2-Methylbenzyl)phosphonate(2-Methylbenzyl)phosphonic Acid Diethyl EsterMFCD000151291-(diethoxyphosphorylmethyl)-2-methylbenzenediethyl [(2-methylphenyl)methyl]phosphonate
Show more names
DIETHYL (O-METHYLBENZYL)PHOSPHONATEDiethyl(2-Methylbenzyl)phosphonate>Diethyl(2-methylbenzyl)phosphonate, 98 %orthomethylbenzylphosphinoacidiethyl esterDiethyl P-[(2-methylphenyl)methyl]phosphonate[(2-methylphenyl)methyl]-phosphonicacidiethylester
2-(Diethylphosphonomethyl)toluene1-(diethoxyphosphorylmethyl)-2-methyl-benzeneSCHEMBL916350Diethyl2-methylbenzylphosphonateSCHEMBL9849219Diethyl O-methylbenzylphosphonateDTXSID9069639AKOS015842333
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 122 °C · 122°C 0,01mm
- Density
- 1.09 · 1.09
- refractive index
- 1.498 · 1.4980-1.5020
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 62778 · 62778-16-9(CAS DataBase Reference)
- EPA Substance Registry System
- Phosphonic acid, [(2-methylphenyl)methyl]-, diethyl ester (62778-16-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- TSCA
- TSCA listed
- HS Code
- 2920.9 · 2920.90.2000
Safety & regulation
Safety data
- tsca
- TSCA listed
- hs_code
- 2920.90.2000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P-[(2-methylphenyl)methyl]-, diethyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers54 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
4 records
Compound notes
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