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5-Chloro-2-nitrobenzotrifluoride

5-Chloro-2-nitrobenzotrifluoride structure

CAS No:
118-83-2
Formula:
C7H3ClF3NO2
Chemical Name:
5-Chloro-2-nitrobenzotrifluoride
Synonyms:
Benzene,4-chloro-1-nitro-2-(trifluoromethyl)-;Toluene,5-chloro-α,α,α-trifluoro-2-nitro-;4-Chloro-1-nitro-2-(trifluoromethyl)benzene;4-Chloro-2-(trifluoromethyl)nitrobenzene;5-Chloro-2-nitrobenzotrifluoride;5-Chloro-2-nitro(trifluoromethyl)benzene;5-Chloro-2-nitro-1-(trifluoromethyl)benzene;5-Chloro-α,α,α-trifluoro-2-nitrotoluene;2-Nitro-5-chlorobenzotrifluoride;4-Nitro-3-trifluoromethyl-1-chlorobenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

colorless to light yellow liquid

5-Chloro-2-nitrobenzotrifluoride Basic Attributes

Molecular Weight：

225.55

Exact Mass：

225.55

BRN：

1973477

EC Number：

204-280-7

UNII：

NN9BZF8WYA

DSSTox ID：

DTXSID30151998

HScode：

29049090

Characteristics

PSA：

45.8

XLogP3：

3.8

Appearance：

colorless to light yellow liquid

Density：

1.526 g/mL at 25 °C(lit.)

Melting Point：

21-22 °C

Boiling Point：

1.526 °C

Flash Point：

217 °F

Refractive Index：

n 20/D 1.499(lit.)

Water Solubility：

168 mg/L (20 ºC)

Vapor Pressure：

0.0933mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-28-36/39-36/37/39-36

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (14.58%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Bioconcentration：

74.13

Drug Information

Biological Half-Life：

0.44 Days

5-Chloro-2-nitrobenzotrifluoride Use and Manufacturing

In a 250 ml round-bottomed flask, 150 ml of DMF, 10 g of 4-amino-3, 5-xylenol (A), 10.77 ml of 5-chloro-2-nitrobenzotrifluoride (B) were added. 15 g of potassium carbonate was added and the mixture was refluxed for 1 day, followed by reduction using ethanol as a solvent using hydrazine and palladium catalyst to obtain 5.6 g of a diamine compound represented by the formula (6).

Computed Properties

Molecular Weight:225.55
XLogP3:3.8
Hydrogen Bond Acceptor Count:5
Exact Mass:224.9804405
Monoisotopic Mass:224.9804405
Topological Polar Surface Area:45.8
Heavy Atom Count:14
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Chloro-2-nitrobenzotrifluoride

CAS No.: 118-83-2

Content: 99.00%

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5-Chloro-2-nitrobenzotrifluoride

CAS No.: 118-83-2

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Content: 98%

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Guide of 5-Chloro-2-nitrobenzotrifluoride

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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5-Chloro-2-nitrobenzotrifluoride

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