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5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile

5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile structure

CAS No:
138564-59-7
Formula:
C12H9N3O2S
Chemical Name:
5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile
Synonyms:
3-Thiophenecarbonitrile,5-methyl-2-[(2-nitrophenyl)amino]-;5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile;2-(2-Nitroanilino)-5-methylthiophene-3-carbonitrile;216439-51-9
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5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile Basic Attributes

Molecular Weight：

259.28400

Exact Mass：

259.28

EC Number：

421-300-1|604-084-5

UNII：

J7X181M78Y

NSC Number：

700023

DSSTox ID：

DTXSID40160713

HScode：

2934999090

Characteristics

PSA：

109.88000

XLogP3：

4.17618

Density：

1.39 g/cm3

Melting Point：

97-100 °C @ Solvent: Isopropanol

Boiling Point：

425.4ºC at 760 mmHg

Flash Point：

211.1ºC

Refractive Index：

1.659

Vapor Pressure：

1.92E-07mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|H319 (95.12%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|Aggregated GHS information provided by 94 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Drug Information

MeSH Entry Terms：

5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile

Computed Properties

Molecular Weight:259.29
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:259.04154771
Monoisotopic Mass:259.04154771
Topological Polar Surface Area:110
Heavy Atom Count:18
Complexity:362
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile

CAS No.: 138564-59-7

Content: 99.00%

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Guide of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile

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