CAS 98674-87-4|(4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one|(4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one|(R)-(+)-Chlocyphos|(4...

General Information

Structure

Molecular Formula

C₁₁H₁₄ClO₄P

Molecular Mass

276.653221

Exact Mass

276.03182324

Charge

InChI

InChI=1S/C11H14ClO4P/c1-11(2)7-15-17(13,14)16-10(11)8-5-3-4-6-9(8)12/h3-6,10H,7H2,1-2H3,(H,13,14)/t10-/m0/s1

InChIKey

ZPSPULCZMWMHCY-JTQLQIEISA-N

Canonic Smiles

Clc1ccccc1[C@@H]1OP(=O)(O)OCC1(C)C

Isomeric Smiles

P1(=O)(O[C@@H](c2c(Cl)cccc2)C(CO1)(C)C)O

Calculated Properties

JChem

Acid pKa

1.8516266

H Acceptors

H Donor

LogD (pH = 5.5)

0.6303339

LogD (pH = 7.4)

0.6081046

Log P

2.9842124

Molar Refractivity

64.3598

Polarizability

25.899883

Polar Surface Area

55.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one (4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2λ⁵-dioxaphosphinan-2-one

IUPAC name

(4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one (4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2λ⁵-dioxaphosphinan-2-one

Synonyms

(R)-(+)-Chlocyphos(4R)-(+)-4-(2-Chlorophenyl)-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ol 2-oxide(4R)-(+)-4-(2-Chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphinan 2-oxide(R)-(+)-Chlocyphos(R)-(+)-4-(2-氯苯基)-2-羟基-5,5-二甲基-1,3,2-二氧磷杂环己烷 2-氧化物(R)-(+)-4-(2-Chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

>99%

> 99%

97%

C11H14ClO4P

Physical Property

228-234°C

228-234 °C(lit.)

[α]22/D +46°, c = 1 in methanol

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

464392

Packaging
1 g in glass bottle
250 mg in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

(4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one (4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2λ⁵-dioxaphosphinan-2-one

IUPAC name

(4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one (4R)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2λ⁵-dioxaphosphinan-2-one

Synonyms

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Molecule Details