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4-AMINO-3-ETHYLBENZONITRILE

4-AMINO-3-ETHYLBENZONITRILE structure

CAS No:
170230-87-2
Formula:
C9H10N2
Chemical Name:
4-AMINO-3-ETHYLBENZONITRILE
Synonyms:
BUTTPARK 13\03-08;4-AMINO-3-ETHYLBENZONITRILE;4-Cyano-2-ethylaniline;Benzonitrile, 4-amino-3-ethyl- (9CI);4-Amino-3-Ethylbenzontrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-AMINO-3-ETHYLBENZONITRILE Basic Attributes

Molecular Weight：

146.19

Exact Mass：

146.084396

BRN：

7526452

EC Number：

-0

DSSTox ID：

DTXSID30370682

HScode：

2926909090

Characteristics

PSA：

49.8

XLogP3：

1.8

Density：

1.07±0.1 g/cm3(Predicted)

Melting Point：

58-61°C

Boiling Point：

297.1±28.0 °C(Predicted)

Flash Point：

133.5±24.0 °C

Refractive Index：

1.563

Vapor Pressure：

0.00138mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-22

safety instructions：

22-36/37/39

Marks：

Xi,Xn

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

GHS Classification：

|Danger|H301 (14.29%): Toxic if swallowed [Danger Acute toxicity, oral]|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:146.19
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:146.084398327
Monoisotopic Mass:146.084398327
Topological Polar Surface Area:49.8
Heavy Atom Count:11
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Amino-3-ethylbenzonitrile

CAS No.: 170230-87-2

Content: 99.00%

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Guide of 4-AMINO-3-ETHYLBENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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