Basic information
- CAS
35787-74-7- Standard SMILES
Cc1ccccc1OP(=O)(O)Oc1ccccc1C- InChIKey
OHRCKPRYDGSBRN-UHFFFAOYSA-N- Molecular formula
- C14H15O4P
- Average molar mass
- 278.24 g/mol
- Monoisotopic mass
- 278.07079595
Names & identifiers
- Preferred name
- Phosphoric acid, bis(2-methylphenyl) ester
- IUPAC
- bis(2-methylphenyl) hydrogen phosphate
- English name
- Bis(2-methylphenoxy)phosphinic acid
- Molecular formula
- C14H15O4P
- Molecular weight
- 278.24
Names & synonyms
35787-74-7Di-o-cresyl phosphatePhosphoric acid di-o-tolyl esterPhosphoric acid, bis(2-methylphenyl) esterRefChem:370923Di-o-tolyl-phosphatebis(2-methylphenyl) hydrogen phosphateBis(2-methylphenoxy)phosphinic AcidDi-o-tolyl hydrogen phosphatedi-o-cresyl hydrogen phosphateBis(2-methylphenyl) Ester Phosphoric Acid; Di-o-Cresyl Hydrogen Phosphate; Di-o-cresyl Phosphate; Di-o-tolyl Phosphate; Phosphoric Acid Di-o-tolyl EsterSCHEMBL497602
Show more names
Di-o-tolyl hydrogen phosphate-d14bis(2-methylphenyl)phosphoric aciddi-o-tolyl hydrogen phosphate / BMPPPhosphoric acid hydrogen di(o-tolyl) ester
orb3144867DTXSID70957173KBA78774MSK161062TYD-04211AKOS030253222MSK161062-100ADB-230003
Database identifiers
- CAS
35787-74-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Chemical ClassesOrganophosphate diesters (OPDE)
Collision Cross Section218.36 Ų [2M+H]+
Physicochemical properties
- Boiling point
- 408.5 · 408.5±48.0 °C(Predicted)
- Density
- 1.225 g/cm3 · 1.225 g/cm3
- storage temp.
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1.17 · 1.17±0.50(Predicted)
- color
- Pale Red to Light Brown
- Stability
- Hygroscopic
Chemistry & industry
Applications
UsesDi-o-tolyl-phosphate is a metabolite of tri-o-cresyl phosphate, a flame retardant plasticizer as well as a neurotoxin.
Suppliers13 total
艾吉析科技（上海）有限公司17717235263 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
青岛贞开生物医药技术有限公司0532-58268781 18561687109 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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