ChemicalBook > CAS DataBase List > 2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE

2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE

Product Name
2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE
CAS No.
157590-59-5
Chemical Name
2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE
Synonyms
4-Chloro-5-(trifluoromethyl);3,4-Diamino-6-chlorobenzotrifluoride;2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE;2-AMino-4-chloro-5-(trifluoroMethyl)aniline;4-Chloro-5-trifluoromethyl-o-phenylenediamine;4-CHLORO-5-TRIFLUOROMETHYL-BENZENE-1,2-DIAMINE;2-Amino-4-chloro-5-(trifluoromethyl)phenylamine;5-Chloro-4-(trifluoromethyl)benzene-1,2-diamine;1,2-Benzenediamine, 4-chloro-5-(trifluoromethyl)-;4-Chloro-5-trifluoromethyl-o-phenylenediamine,95%
CBNumber
CB9346468
Molecular Formula
C7H6ClF3N2
Formula Weight
210.58
MOL File
Mol file
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2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE Property

Melting point:
61-63°
Boiling point:
305.1±42.0 °C(Predicted)
Density 
1.510
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
pka
2.30±0.10(Predicted)
form 
Solid
color 
White to brown
Water Solubility 
Slightly soluble in water.
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Safety

Hazard Codes 
Xi
Hazard Note 
Irritant
HazardClass 
6.1
HS Code 
2921599090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TRC
Product number
C385643
Product name
4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine
Packaging
500mg
Price
$200
Updated
2021/12/16
Matrix Scientific
Product number
048565
Product name
2-Amino-4-chloro-5-(trifluoromethyl)phenylamine
Purity
>95%
Packaging
500mg
Price
$72
Updated
2021/12/16
Matrix Scientific
Product number
048565
Product name
2-Amino-4-chloro-5-(trifluoromethyl)phenylamine
Purity
>95%
Packaging
1g
Price
$110
Updated
2021/12/16
Apolloscientific
Product number
PC5164
Product name
4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine
Purity
97%
Packaging
1g
Price
$111
Updated
2021/12/16
SynQuest Laboratories
Product number
3830-7-07
Product name
2-Chloro-4,5-diaminobenzotrifluoride
Purity
97%
Packaging
1g
Price
$122
Updated
2021/12/16
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2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE Chemical Properties,Usage,Production

Uses

4-Chloro-5-trifluoromethyl-o-phenylenediamine has application in dietary supplements, pharmaceutical or cosmeticeuticals.

Synthesis

35375-74-7

157590-59-5

General procedure for the synthesis of 2-chloro-4,5-diaminotrifluoromethylbenzene from 5-chloro-2-nitro-4-(trifluoromethyl)aniline: 5-chloro-2-nitro-4-(trifluoromethyl)aniline (2 g, 8.31 mmol) was dissolved in a solvent mixture of EtOH:H2O (5:1, 10 mL) at room temperature. Subsequently, SnCl2 (4.73 g, 24.9 mmol) was added to the solution. The reaction mixture was stirred at 80°C for 3 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the reaction mixture was filtered through a bed of diatomaceous earth and the filtrate was concentrated under reduced pressure to afford 4-chloro-5-(trifluoromethyl)benzene-1,2-diamine as a yellow semi-solid product. Yield: 1.7 g, 97% yield. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 6.95 (s,1H), 6.88 (s,1H), 4.68-5.08 (bs,4H). Mass spectrometry (ESI-) analysis showed m/z 209.15 [M-H]-.

References

[1] Patent: WO2018/37223, 2018, A1. Location in patent: Page/Page column 118; 119
[2] Journal of Medicinal Chemistry, 1995, vol. 38, # 22, p. 4367 - 4379
[3] Patent: WO2004/35549, 2004, A1. Location in patent: Page 105
[4] Patent: WO2008/56150, 2008, A1. Location in patent: Page/Page column 182

2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE Preparation Products And Raw materials

Raw materials

Preparation Products

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2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE Suppliers

China 36 France 1 India 1 United Kingdom 4 United States 9 Global 51
Accela ChemBio Inc.
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Synthonix Inc
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SynQuest Laboratories, Inc.
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Matrix Scientific
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157590-59-5, 2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDERelated Search:


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  • 2-Amino-4-chloro-5-(trifluoromethyl)phenylamine
  • 3,4-Diamino-6-chlorobenzotrifluoride
  • 5-Chloro-4-(trifluoromethyl)benzene-1,2-diamine
  • 4-Chloro-5-trifluoroMethyl-o-phenylenediaMine, 95%
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  • 157590-59-5