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5-NITROTHIOPHENE-2-CARBONITRILE

5-NITROTHIOPHENE-2-CARBONITRILE structure

CAS No:
16689-02-4
Formula:
C5H2N2O2S
Chemical Name:
5-NITROTHIOPHENE-2-CARBONITRILE
Synonyms:
2-CYANO-5-NITROTHIOPHENE;AKOS 92290;5-CYANO-2-NITROTHIOPHENE;5-NITRO-2-THIOPHENECARBONITRILE;5-NITROTHIOPHENE-2-CARBONITRILE;BUTTPARK 121\04-20;5-NITROTHIOPHENE-2-CARBONITRILE, 98+%;2-Nitrothiophene-5-carbonitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-NITROTHIOPHENE-2-CARBONITRILE Basic Attributes

Molecular Weight：

154.15

Exact Mass：

153.983704

BRN：

123934

EC Number：

DSSTox ID：

DTXSID10333957

HScode：

29349990

Characteristics

PSA：

97.8

XLogP3：

0.81

Density：

1.50±0.1 g/cm3(Predicted)

Melting Point：

42-46 °C

Boiling Point：

273.9±25.0 °C(Predicted)

Flash Point：

119.4±23.2 °C

Refractive Index：

1.611

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3439 6.1/PG 3

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H318-H335

GHS Classification：

|Danger|H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:154.15
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Exact Mass:153.98369848
Monoisotopic Mass:153.98369848
Topological Polar Surface Area:97.8
Heavy Atom Count:10
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 16689-02-4

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 5-NITROTHIOPHENE-2-CARBONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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