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2-ACETYL-5-CYANOTHIOPHENE

2-ACETYL-5-CYANOTHIOPHENE structure

CAS No:
88653-55-8
Formula:
C7H5NOS
Chemical Name:
2-ACETYL-5-CYANOTHIOPHENE
Synonyms:
5-ACETYLTHIOPHENE-2-CARBONITRILE;2-ACETYL-5-CYANOTHIOPHENE;BUTTPARK 33\06-10;2-Acetyl-5-cynothiophene;2-Thiophenecarbonitrile, 5-acetyl- (7CI,9CI);2-Acetyl-5-cyanotiophene;5-acetylthiophene-2-carbonitile;5-Cyano-2-acetylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-ACETYL-5-CYANOTHIOPHENE Basic Attributes

Molecular Weight：

151.19

Exact Mass：

151.00900

BRN：

1306961

DSSTox ID：

DTXSID50372663

HScode：

2934999090

Characteristics

PSA：

69.1

XLogP3：

1.82238

Density：

1.26 g/cm3

Melting Point：

77 °C

Boiling Point：

95 °C

Flash Point：

95-97°C/0.5mm

Refractive Index：

1.561

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-25

safety instructions：

23-36/37/39-45

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (14.29%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:151.19
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:151.00918496
Monoisotopic Mass:151.00918496
Topological Polar Surface Area:69.1
Heavy Atom Count:10
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Pyridine

Phosphonic acid

Phosphoric acid

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Guide of 2-ACETYL-5-CYANOTHIOPHENE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Latest News
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