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1,4-Diphenoxybutane

1,4-Diphenoxybutane structure

CAS No:
3459-88-9
Formula:
C16H18O2
Chemical Name:
1,4-Diphenoxybutane
Synonyms:
1,4-Diphenoxybutane;4-phenoxybutoxybenzene;CHEMBL562547;Benzene, 1,1"-(1,4-butanediylbis(oxy))bis-;Benzene, 1,1"-[1,4-butanediylbis(oxy)]bis-;NSC99254;PubChem2390;1,4-bis-phenoxybutane;1,4-Diphenoxy-n-butane;SCHEMBL1490164
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Off-white Crystals

1,4-Diphenoxybutane Basic Attributes

Molecular Weight：

242.316

Exact Mass：

242.130676

NSC Number：

99254

DSSTox ID：

DTXSID60188151

HScode：

2909309090

Characteristics

PSA：

18.5

XLogP3：

4.70

Density：

1.0±0.1 g/cm3

Melting Point：

97-100°C

Boiling Point：

378.1±25.0 °C at 760 mmHg

Flash Point：

149.9±22.7 °C

Refractive Index：

1.544

Safety Information

Precautionary statement(s)：

P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, 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:242.31
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:242.130679813
Monoisotopic Mass:242.130679813
Topological Polar Surface Area:18.5
Heavy Atom Count:18
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Diphenoxybutane

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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1,4-Diphenoxybutane

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