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1-Ethyl-2-nitrobenzene

1-Ethyl-2-nitrobenzene structure

CAS No:
612-22-6
Formula:
C8H9NO2
Chemical Name:
1-Ethyl-2-nitrobenzene
Synonyms:
Benzene,1-ethyl-2-nitro-;1-Ethyl-2-nitrobenzene;o-Nitroethylbenzene;o-Ethylnitrobenzene;2-Ethyl-1-nitrobenzene;2-Ethylnitrobenzene;NSC 5095;2-Nitro-1-ethylbenzene;2-Nitro(ethylbenzene);Benzenamine,2-ethyl-N,N-dihydroxy-;2181166-23-2
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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1-Ethyl-2-nitrobenzene Basic Attributes

Molecular Weight：

151.16

Exact Mass：

151.16

EC Number：

210-299-1

NSC Number：

5095

DSSTox ID：

DTXSID4073209

Characteristics

PSA：

45.8

XLogP3：

2.68040

Appearance：

Colorless or light yellow to green oily liquid

Density：

1.1236 g/cm³ @ Temp: 20 °C

Melting Point：

-12.3 °C

Boiling Point：

232.5 °C

Flash Point：

228 °F

Refractive Index：

n20/D 1.537(lit.)

Water Solubility：

0.00 M

Safety Information

Transport codes：

2810

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-36

Marks：

Xi,Xn

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, 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.

Toxicity

Bioconcentration：

12.88

Drug Information

Biological Half-Life：

0.28 Days

1-Ethyl-2-nitrobenzene Use and Manufacturing

Methods of Manufacturing

Nitration of ethylbenzene by mixed acid (prepared with nitric acid and sulfuric acid) to obtain p- and o-nitroethylbenzene, and then fractional distillation to obtain o-nitroethylbenzene, while co-producing p-nitroethylbenzene. This product is generally not produced separately, but a co-product of its intermediate product, p-nitroacetophenone, in the process of producing p-nitroacetophenone.

Uses

Used in pesticides and medicine

Computed Properties

Molecular Weight:151.16
XLogP3:2.7
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:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethylbenzene

Ethanol

Nitric acid

Downstream Products

Ethylbenzene

Phenol

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