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2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile

2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile structure

CAS No:
104366-23-6
Formula:
C6H3ClN2OS
Chemical Name:
2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile
Synonyms:
3-Thiophenecarbonitrile,2-amino-4-chloro-5-formyl-;2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile;2-Amino-4-chloro-3-cyano-5-formylthiophene;2-Amino-3-cyano-4-chloro-5-formylthiophene;2-Amino-4-chloro-5-formyl-3-cyanothiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Brown solid

2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile Basic Attributes

Molecular Weight：

186.62

Exact Mass：

186.62

DSSTox ID：

DTXSID70372180

HScode：

29349990

Characteristics

PSA：

95.1

XLogP3：

2.08

Density：

1.58±0.1 g/cm3(Predicted)

Melting Point：

270 °C

Boiling Point：

366.3±42.0 °C(Predicted)

Flash Point：

175.3±27.9 °C

Refractive Index：

1.646

Storage Conditions：

2-8°C

Vapor Pressure：

1.48E-05mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

8/6.1

Transport codes：

UN 2923 6.1(8) / PGIII

wgk germany：

hazard class code：

22-34-43

safety instructions：

26-36/37/39-45

Marks：

Xi,C

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H301-H314-H317

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:186.62
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:185.9654616
Monoisotopic Mass:185.9654616
Topological Polar Surface Area:95.1
Heavy Atom Count:11
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphorus oxychloride

Triethylamine

Formic acid

Dimethylformamide

Ammonium sulfate

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Guide of 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Latest News
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2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile

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