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1-Ethyl-4-nitrobenzene

1-Ethyl-4-nitrobenzene structure

CAS No:
100-12-9
Formula:
C8H9NO2
Chemical Name:
1-Ethyl-4-nitrobenzene
Synonyms:
Benzene,1-ethyl-4-nitro-;1-Ethyl-4-nitrobenzene;p-Nitroethylbenzene;p-Ethylnitrobenzene;p-Nitrophenylethane;4-Ethylnitrobenzene;4-Ethyl-1-nitrobenzene;NSC 858;4-Nitro-1-ethylbenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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1-Ethyl-4-nitrobenzene Basic Attributes

Molecular Weight：

151.16

Exact Mass：

151.16

EC Number：

202-786-2

NSC Number：

858

DSSTox ID：

DTXSID9059206

HScode：

2904209090

Characteristics

PSA：

45.8

XLogP3：

2.94

Appearance：

clear yellow liquid

Density：

1.1226 g/cm³ @ Temp: 20 °C

Melting Point：

-12.3 °C

Boiling Point：

245.5 °C

Flash Point：

117 °C

Refractive Index：

1.544

Vapor Pressure：

0.0431mmHg at 25°C

Safety Information

Transport codes：

2810

wgk germany：

hazard class code：

52-36/37/38-33-23/24/25

safety instructions：

22-24/25-36-26

RTECS Number：

DH5600000

Marks：

T,Xi

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

RIDADR：

UN 2810

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Ethyl-4-nitrobenzene Use and Manufacturing

Methods of Manufacturing

It is obtained by nitration of ethylbenzene.

Uses

Used as pharmaceutical intermediate

Manufacturing Info：

Benzene, 1-ethyl-4-nitro-: INACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, polar column, isothermal	Packed	Carbowax 20M	2057.	200.	isothermal	He, Silanized white support; Column length: 2. m	Vernon, F.Suratman, J.B.The retention index system applied to alkylbenzenes and monosubstituted derivativesChromatographia1983, 17, 11, 600-604.

Computed Properties

Molecular Weight:151.16
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:151.063328530
Monoisotopic Mass:151.063328530
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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4-Ethylnitrobenzene

CAS No.: 100-12-9

Grade: Industrial Grade

Content: 99%

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