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2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5-CARBONITRILE

2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5-CARBONITRILE structure

CAS No:
859851-02-8
Formula:
C7H5NO2S
Chemical Name:
2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5-CARBONITRILE
Synonyms:
2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile;2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile;Thieno[3,4-b]-1,4-dioxin-5-carbonitrile,2,3-dihydro-;SCHEMBL2085459;CTK5F6156;DTXSID80428783;TQP0131;ZINC5177775;MFCD08060540;SBB088085

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2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5-CARBONITRILE Basic Attributes

Molecular Weight：

167.19

Exact Mass：

167.00400

DSSTox ID：

DTXSID80428783

Characteristics

PSA：

70.5

XLogP3：

1.39098

Density：

1.43g/cm3

Melting Point：

70 °C

Boiling Point：

297.8ºC at 760 mmHg

Flash Point：

133.9ºC

Refractive Index：

1.607

Safety Information

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:167.19
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Exact Mass:167.00409958
Monoisotopic Mass:167.00409958
Topological Polar Surface Area:70.5
Heavy Atom Count:11
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5-CARBONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5-CARBONITRILE

SDS

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