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(4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE

(4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE structure

CAS No:
17354-04-0
Formula:
C10H10N2O4
Chemical Name:
(4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE
Synonyms:
(4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE;AKOS BC-1501;2-(4,5-DIMETHOXY-2-NITROPHENYL)ACETONITRILE;2-(4,5-Dimethyoxy-2-nitrophenyl)acetonitrile;4,5-Dimethoxy-2-nitrophenylace;2-(4,5-dimethoxy-2-nitro-phenyl)ethanenitrile

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(4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE Basic Attributes

Molecular Weight：

222.2

Exact Mass：

222.06400

NSC Number：

10126

DSSTox ID：

DTXSID30278795

HScode：

29269090

Characteristics

PSA：

88.1

XLogP3：

1.3

Density：

1.266±0.06 g/cm3(Predicted)

Melting Point：

110-112℃

Boiling Point：

398.5±37.0 °C(Predicted)

Flash Point：

194.8ºC

Refractive Index：

1.546

Vapor Pressure：

1.47E-06mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3439

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:222.20
XLogP3:1.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:222.06405680
Monoisotopic Mass:222.06405680
Topological Polar Surface Area:88.1
Heavy Atom Count:16
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

(4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE

SDS

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