Butanedioic acid, 2-((6-oxido-6H-dibenz(c,e)(1,2)oxaphosphorin-6-yl)methyl)-, 1,4-bis(2-hydroxyethyl) ester
Basic information
- CAS
63562-34-5- Standard SMILES
O=C(CC(CP1(=O)Oc2ccccc2-c2ccccc21)C(=O)OCCO)OCCO- InChIKey
MJOBQUIJUFKMPR-UHFFFAOYSA-N- Molecular formula
- C21H23O8P
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.11305469
Names & identifiers
- Preferred name
- Butanedioic acid, 2-((6-oxido-6H-dibenz(c,e)(1,2)oxaphosphorin-6-yl)methyl)-, 1,4-bis(2-hydroxyethyl) ester
- IUPAC
- bis(2-hydroxyethyl) 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate
- English name
- bis(2-hydroxyethyl) (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide
- Molecular formula
- C21H23O8P
- Molecular weight
- 434.38
Names & synonyms
63562-34-5EINECS 264-313-6DTXSID60886625EC 264-313-6Butanedioic acid, ((6-oxido-6H-dibenz(c,e)(1,2)oxaphosphorin-6-yl)methyl)-, bis(2-hydroxyethyl) esterButanedioic acid, 2-((6-oxido-6H-dibenz(c,e)(1,2)oxaphosphorin-6-yl)methyl)-, 1,4-bis(2-hydroxyethyl) esterButanedioic acid, [(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-, bis(2-hydroxyethyl) esterButanedioic acid, 2-[(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-, 1,4-bis(2-hydroxyethyl) esterRefChem:122018DTXCID901025949bis(2-hydroxyethyl) 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioateBis(2-hydroxyethyl)(6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide
Show more names
bis(2-hydroxyethyl) (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxideButanedioic acid, [(6-oxido-6H-dibenz[c, e][1,2]oxaphosphorin-6-yl)methyl]-, bis(2-hydroxyethyl) ester6-[4-(2-Hydroxyethoxy)-2-[(2-hydroxyethoxy)carbonyl]-4-oxobutyl]-6H-dibenz[c,e][1,2]oxaphosphorin 6-oxide
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- Boiling point
- 657.6 · 657.6±65.0 °C(Predicted)
- Density
- 1.39 · 1.39
- vapor pressure
- 0 · 0-0Pa at 20-25℃
- pka
- 13.85 · 13.85±0.10(Predicted)
- LogP
- 0.3 · 0.3-3.324 at 25℃ and pH5.5
- Surface tension
- 62.26 mN/m · 62.26mN/m at 56.59mg/L and 20.2℃
- EPA Substance Registry System
- Butanedioic acid, [(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-, bis(2-hydroxyethyl) ester (63562-34-5)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 ClassificationNot Classified
Hazard information
Regulatory InformationREACH registered substance: Bis(2-hydroxyethyl) (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide (EC: 264-313-6)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2-[(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-, 1,4-bis(2-hydroxyethyl) ester: ACTIVE
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Compound notes
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