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Benzo[b]thiophene-3-carboxaldehyde

Benzo[b]thiophene-3-carboxaldehyde structure

CAS No:
5381-20-4
Formula:
C9H6OS
Chemical Name:
Benzo[b]thiophene-3-carboxaldehyde
Synonyms:
Benzo[b]thiophene-3-carboxaldehyde;3-Formylbenzo[b]thiophene;3-Thianaphthenecarboxaldehyde;3-Benzothiophenecarboxaldehyde;Benzo[b]thiophene-3-aldehyde;1-Benzothiophene-3-carboxaldehyde;NSC 18872;Thianaphtene-3-carboxaldehyde;3-Formylbenzothiophene;1-Benzothiophene-3-carbaldehyde
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Yellow to brown crystalline powder

Benzo[b]thiophene-3-carboxaldehyde Basic Attributes

Molecular Weight：

162.21

Exact Mass：

162.21

EC Number：

1312995-182-4

NSC Number：

18872

DSSTox ID：

DTXSID70280832

HScode：

2934999090

Characteristics

PSA：

45.3

XLogP3：

2.6

Appearance：

yellow to brown crystalline powder

Density：

1.3±0.1 g/cm3

Melting Point：

58 °C

Boiling Point：

149-150 °C @ Press: 10 Torr

Flash Point：

>230 °F

Refractive Index：

1.720

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:162.21
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:162.01393598
Monoisotopic Mass:162.01393598
Topological Polar Surface Area:45.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Butyllithium

Formaldehyde

Dimethylformamide

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1-Benzothiophene-3-carbaldehyde

CAS No.: 5381-20-4

Content: 99.00%

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CAS No.: 5381-20-4

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Guide of Benzo[b]thiophene-3-carboxaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Recommended Suppliers
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Benzo[b]thiophene-3-carboxaldehyde

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