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2-氰基-4-硝基-6-溴苯胺

2-Cyano-4-nitro-6-bromoaniline

CAS: 17601-94-4

Molecular Formula: C7H4BrN3O2

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2-氰基-4-硝基-6-溴苯胺 - Names and Identifiers

Name 2-Cyano-4-nitro-6-bromoaniline
Synonyms 2-Cyan-4-nitro-6-bromoaniline
2-Bromo-6-cyano-4-nitroaniline
6-BROMO-2-CYANO-4-NITROANILINE
2-Cyano-4-nitro-6-bromoaniline
2-AMINO-3-BROMO-5-NITROBENZONITRILE
2-amino-3-bromo-5-nitro-benzonitril
2-amino-3-bromo-5-nitrobenzonitrile
1-amino-2-cyano-4-nitro-6-bromobenzene
2-isothiocyanato-2,4,4-trimethylpentane
6-Bromo-2-Cyano-4-Nitroaniline 2-Cyano-4-Nitro-6-Bromoaniline
CAS 17601-94-4
EINECS 241-574-4
InChI InChI=1/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3

2-氰基-4-硝基-6-溴苯胺 - Physico-chemical Properties

Molecular FormulaC7H4BrN3O2
Molar Mass242.03
Density1.8856 (rough estimate)
Melting Point180-185°C(lit.)
Boling Point374.8±42.0 °C(Predicted)
Flash Point89.2°C
Vapor Presure0.115mmHg at 25°C
AppearanceYellow powder
ColorLight orange to Yellow to Green
pKa-4.23±0.20(Predicted)
Storage ConditionRoom Temprature
Refractive Index1.6200 (estimate)
MDLMFCD00054185
Physical and Chemical PropertiesMelting point 180-185°C
UseMainly used for the synthesis of disperse dyes

2-氰基-4-硝基-6-溴苯胺 - Risk and Safety

Risk CodesR20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/39 -
S36 - Wear suitable protective clothing.
WGK Germany3
TSCAYes
HS Code29269090
Hazard NoteIrritant
Hazard Class6.1
Packing GroupIII

2-氰基-4-硝基-6-溴苯胺 - Reference Information

EPA chemical information Information provided by: ofmpub.epa.gov (external link)
application 2-cyano-4-nitro-6-bromoaniline is a very important disperse dye intermediate and an important raw material for synthesizing disperse dyes such as disperse blue 183.
preparation (1) synthesis of 2-cyano -4-nitroaniline: A1, put 100g of o-chlorobenzonitrile into 333g of sulfuric acid medium, then add mixed acid dropwise, nitrification at 5-10 ℃ to obtain nitrate; The mixed acid is made by mixing HNO3 and H2SO4 in a mass percentage of 0.5:1; a2, the nitrate in step A1 is hydrolyzed by adding water, and then filtered to obtain nitrification material; A3, dissolve the nitrification material in step A2 in 400g of chlorobenzene to obtain a mixed solution of nitrate and chlorine; A4, ammonolysis reaction of nitrate and chlorine mixture in step A3 with liquid ammonia, distillation to recover solvent at 80 ℃ after reaction to the end point; Ammonolysis reaction temperature is 110 ℃, the ammonolysis reaction pressure is 2.6MPa; the end point of the reaction is determined in a liquid chromatography; A5. The solvent in step A4 is filtered and washed to neutral to obtain a wet product product, namely 2-cyano -4-Nitroaniline wet product; the reaction equation in this step (1) is: It can be seen that the sulfuric acid medium essentially acts as a solvent and provides acidic conditions for the reaction, sulfuric acid does not participate in the reaction. (2) Synthesis of 2-cyano -4-nitro -6-bromoaniline: B1, weigh 100g of 2-cyano -4-nitroaniline prepared in step A5 and put it into 20g of sulfuric acid medium, then add hydrogen bromide and 50g hydrogen peroxide dropwise for reaction; B2, after the reaction in step B1 reaches the end point through end point control, filtration was performed to obtain a wet product of 2-cyanide-4-nitro-6-bromoaniline. The reaction equation in this step (2) is: Similarly, the sulfuric acid medium essentially acts as a solvent, providing acidic conditions for the reaction, and sulfuric acid does not participate in the reaction.
use mainly used to synthesize disperse dyes
Last Update:2024-04-10 22:29:15
2-氰基-4-硝基-6-溴苯胺
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