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2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&

2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT& structure

CAS No:
177281-34-4
Formula:
C26H40N2O2
Chemical Name:
2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&
Synonyms:
2,5-Bis(octyloxy)benzene-1,4-diacetonitrile;2-[4-(cyanomethyl)-2,5-dioctoxyphenyl]acetonitrile;2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&;PubChem8977;CTK4D6462;DTXSID30391498;AKOS015890183;ZINC100021044;FT-0656844;2,5-Bis(octyloxy)-1,4-benzenediacetonitrile

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Description

white to light yellow crystal powde

2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT& Basic Attributes

Molecular Weight：

412.614

Exact Mass：

412.30900

DSSTox ID：

DTXSID30391498

Characteristics

PSA：

XLogP3：

7.29736

Density：

0.98 g/cm3

Melting Point：

96.5-101.2 °C(lit.)

Boiling Point：

554.6ºC at 760 mmHg

Flash Point：

185.5ºC

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:412.6
XLogP3:8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:18
Exact Mass:412.308978523
Monoisotopic Mass:412.308978523
Topological Polar Surface Area:66
Heavy Atom Count:30
Complexity:458
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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2 5-BIS(OCTYLOXY)BENZENE-1 4-DIACETONIT&

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