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Diethyl P-octylphosphonate

Diethyl P-octylphosphonate structure

CAS No:
1068-07-1
Formula:
C12H27O3P
Chemical Name:
Diethyl P-octylphosphonate
Synonyms:
Phosphonic acid,P-octyl-,diethyl ester;Phosphonic acid,octyl-,diethyl ester;Diethyl P-octylphosphonate;Diethyl octylphosphonate;Diethyl octanephosphonate;1-Diethoxyphosphoryloctane
Categories:
Organic Chemistry > Phosphines

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Diethyl P-octylphosphonate Basic Attributes

Molecular Weight：

250.31

Exact Mass：

250.31

BRN：

1778018

EC Number：

213-941-9

DSSTox ID：

DTXSID3074442

HScode：

2931900090

Characteristics

PSA：

45.34000

XLogP3：

4.61300

Density：

0.9490 g/cm³ @ Temp: 020 °C

Boiling Point：

119 °C @ Press: 1.2 Torr

Flash Point：

88-89°C/0.1mm

Refractive Index：

1.434

Safety Information

hazard class code：

36/38

safety instructions：

26-36

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:250.31
XLogP3:3.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:250.16978172
Monoisotopic Mass:250.16978172
Topological Polar Surface Area:35.5
Heavy Atom Count:16
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Diethyl P-octylphosphonate

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Characteristics
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Computed Properties
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Diethyl P-octylphosphonate

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