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1,4-Benzodioxan

1,4-Benzodioxan structure

CAS No:
493-09-4
Formula:
C8H8O2
Chemical Name:
1,4-Benzodioxan
Synonyms:
1,4-Benzodioxin,2,3-dihydro-;1,4-Benzodioxan;2,3-Dihydro-1,4-benzodioxin;1,2-(Ethylenedioxy)benzene;Ethylene o-phenylene dioxide;Pyrocatechol ethylene ether;Benzene,1,2-[1,2-ethanediylbis(oxy)]-;NSC 406705;2,3-Dihydrobenzo[b][1,4]dioxin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

1,4-Benzodioxan Basic Attributes

Molecular Weight：

136.15

Exact Mass：

136.15

BRN：

120846

EC Number：

207-775-6

UNII：

ZC5YP57PSW

NSC Number：

406705

DSSTox ID：

DTXSID8075419

HScode：

29329995

Characteristics

PSA：

18.5

XLogP3：

Appearance：

Clear colorless to light yellow Liquid

Density：

1.180 g/cm³ @ Temp: 20 °C

Melting Point：

213-217 °C

Boiling Point：

103 °C

Flash Point：

190 °F

Refractive Index：

1.538

Water Solubility：

H2O: insoluble

OH：

2.52e-11 cm3/molecule*sec

Safety Information

wgk germany：

safety instructions：

23-24/25

RTECS Number：

DF4728000

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H302+H312+H332

Drug Information

MeSH Entry Terms：

1,4-benzodioxan

1,4-Benzodioxan Use and Manufacturing

Doxazosin intermediate.

Computed Properties

Molecular Weight:136.15
XLogP3:2
Hydrogen Bond Acceptor Count:2
Exact Mass:136.052429494
Monoisotopic Mass:136.052429494
Topological Polar Surface Area:18.5
Heavy Atom Count:10
Complexity:99.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Catechol

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