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2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE structure

CAS No:
141492-50-4
Formula:
C9H7NO2S
Chemical Name:
2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE
Synonyms:
6-ISOTHIOCYANATO-2,3-DIHYDRO-1,4-BENZODIOXINE;2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE;3,4-(Ethylenedioxy)phenyl isothiocyanate;1,4-Benzodioxin,2,3-dihydro-6-isothiocyanato-(9CI);2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate ,97%;2,3-Dihydro-6-isothiocyanato-1,4-benzodioxine;2,3-dihydrobenzo[b][1,4]dioxin-6-yl isothiocyanate;2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate 97%
Categories:
Chemical Reagents > Organic Reagents

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Description

Off-white to brown solid

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

193.22

Exact Mass：

193.02000

DSSTox ID：

DTXSID80379867

HScode：

29329990

Characteristics

PSA：

62.9

XLogP3：

2.19210

Density：

1.31±0.1 g/cm3(Predicted)

Melting Point：

62-64°C

Boiling Point：

329.2±41.0 °C(Predicted)

Flash Point：

152.9ºC

Refractive Index：

1.627

Safety Information

Hazard category：

IRRITANT

Transport codes：

2923

hazard class code：

20/21/22-34

safety instructions：

26-36/37/39-45

Marks：

GHS Classification：

|Danger|H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, 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:193.22
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:193.01974964
Monoisotopic Mass:193.01974964
Topological Polar Surface Area:62.9
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE

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