Phosphoric aci di-T-butyl exter chloromethyl ester

C₉H₂₀ClO₄PCAS 229625-50-7258.68 g/mol

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Alkyl halide Phosphate

Properties

Molecular formula: C₉H₂₀ClO₄P
Molar mass: 258.68 g/mol
Exact mass: 258.0788 Da
logP: 3.94Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

229625-50-7

SMILES

CC(C)(C)OP(=O)(OCCl)OC(C)(C)C

InChIKey

LNJAJHJFSKUCIR-UHFFFAOYSA-N

InChI

InChI=1S/C9H20ClO4P/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6/h7H2,1-6H3

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Names and synonyms

1 names

Di-tert-butyl (chloromethyl) phosphate

Work with Phosphoric aci di-T-butyl exter chloromethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tris(2-chloroethyl) phosphate115-96-833 % similar Di-tert-butyl potassium phosphate33494-80-333 % similar Triethyl phosphate78-40-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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