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Diethyl P-[(4-cyanophenyl)methyl]phosphonate

Diethyl P-[(4-cyanophenyl)methyl]phosphonate structure

CAS No:
1552-41-6
Formula:
C12H16NO3P
Chemical Name:
Diethyl P-[(4-cyanophenyl)methyl]phosphonate
Synonyms:
Phosphonic acid,P-[(4-cyanophenyl)methyl]-,diethyl ester;Phosphonic acid,(p-cyanobenzyl)-,diethyl ester;Phosphonic acid,[(4-cyanophenyl)methyl]-,diethyl ester;Diethyl P-[(4-cyanophenyl)methyl]phosphonate;Diethyl (p-cyanobenzyl)phosphonate;NSC 48805;4-(Diethoxyphosphorylmethyl)benzonitrile;Diethyl [(4-cyanophenyl)methyl]phosphonate;(4-Cyanobenzyl)phosphonic acid diethyl ester;Diethyl 4-cyanobenzylphosphonate

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Diethyl P-[(4-cyanophenyl)methyl]phosphonate Basic Attributes

Molecular Weight：

253.23400

Exact Mass：

253.23

EC Number：

605-002-0

NSC Number：

48805

DSSTox ID：

DTXSID50287061

HScode：

2931900090

Characteristics

PSA：

69.13000

XLogP3：

3.32438

Density：

1.14g/cm3

Melting Point：

31 °C

Boiling Point：

146-150 °C @ Press: 0.03 Torr

Flash Point：

192ºC

Refractive Index：

1.498

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:253.23
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:253.08678037
Monoisotopic Mass:253.08678037
Topological Polar Surface Area:59.3
Heavy Atom Count:17
Complexity:305
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Diethyl P-[(4-cyanophenyl)methyl]phosphonate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Diethyl P-[(4-cyanophenyl)methyl]phosphonate

SDS

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