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Dimethyl P-(2-oxoheptyl)phosphonate

Dimethyl P-(2-oxoheptyl)phosphonate structure

CAS No:
36969-89-8
Formula:
C9H19O4P
Chemical Name:
Dimethyl P-(2-oxoheptyl)phosphonate
Synonyms:
Phosphonic acid,P-(2-oxoheptyl)-,dimethyl ester;Phosphonic acid,(2-oxoheptyl)-,dimethyl ester;Dimethyl P-(2-oxoheptyl)phosphonate;Dimethyl 2-oxoheptanephosphonate;Dimethyl (2-oxoheptyl)phosphonate;Dimethyl (hexanoylmethyl)phosphonate;(2-Oxoheptyl)phosphonic acid dimethyl ester;Dimethyl β-oxoheptylphosphonate;Dimethyl 2-oxoheptylphosphate;1-Dimethoxyphosphorylheptan-2-one;52035-75-3;62509-55-1
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID

Dimethyl P-(2-oxoheptyl)phosphonate Basic Attributes

Molecular Weight：

222.219

Exact Mass：

222.22

EC Number：

253-293-4

DSSTox ID：

DTXSID30190463

HScode：

2931900090

Characteristics

PSA：

62.41000

XLogP3：

1.66

Appearance：

clear colorless to slightly yellow liquid

Density：

1.1±0.1 g/cm3

Boiling Point：

316.0±0.0 °C at 760 mmHg

Flash Point：

147.6±42.9 °C

Refractive Index：

1.426

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S23-S24/25

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, 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:222.22
XLogP3:2.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:222.10209608
Monoisotopic Mass:222.10209608
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Dimethyl P-(2-oxoheptyl)phosphonate

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Basic Attributes
Characteristics
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Computed Properties
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Dimethyl P-(2-oxoheptyl)phosphonate

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