Encyclopedia / Dyestuff Intermediates / Others

2,5-DICHLOROANILINE

CAS：15470-55-0
MW:174.00
MF：C6H3Cl2N2+

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Names and ldentifier
Use and Manufacturing
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2,5-DICHLOROANILINE

1.2 Synonyms: 2,5-Dichlorobenzenediazonium; Azoic diazo 3; AZOIC DIAZO COMPONENT 3; Benzenediazonium, 2, 5-dichloro; Benzenediazonium, 2,5-dichloro-; C.I. Azoic Diazo Component 3; Diazo Fast Scarlet GG; Diazol Scarlet 2Zh; FAST SCARLET BASE 2G; Fast Scarlet GG; FAST SCARLET GG BASE; Fast Scarlet GG Salt; Fast Scarlet GGS Base; Icho Salt Scarlet GG; LABOTEST-BB LT00032157; Scarlet Salt GG;

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1.3 CAS No.: 15470-55-0

1.4 CID: 84281

1.5 EINECS: 238-111-3

1.6 Molecular Formula: C6H3Cl2N2+

1.7 Inchi: InChI=1S/C6H3Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3H/q+1

1.8 InChkey: MPHSORCNUGSJAA-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=C(C=C1Cl)[N+]#N)Cl

1.10 Isomers Smiles: C1=CC(=C(C=C1Cl)[N+]#N)Cl

2. Use and Manufacturing

2.1 Methods of Manufacturing: Using 2, 5-dichloronitrobenzene as raw material, in the presence of formic acid, it is reduced by iron powder, filtered, dried, and crushed to obtain a finished product. Add 1200L of water to the reduction pot, heat it to 80°C, add 200kg iron powder, 3kg formic acid (98%), continue heating to 98°C, slowly add 400kg of molten 2, 5-dichloronitrobenzene, about 8- 10h, control the temperature to 102-104℃, after the addition, keep holding for 1-2h. Then add about 15kg of sodium carbonate to neutralize to pH 8. Subsequent to steam distillation, until no oil is distilled out. Separate the water layer to obtain the product.

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3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

5. Synthesis Route

15470-55-0Total: 2 Synthesis Route

95-82-9 121 Suppliers

15470-55-0 18 Suppliers

82765-38-6

16331-64-9

15470-55-0 18 Suppliers

6. Precursor and Product

precursor:

82765-38-6

95-82-9

product:

6410-38-4

98555-71-6

6953-44-2

893-39-0

1435-50-3

2628-71-9

29682-41-5

7. Computed Properties

Molecular Weight：174.00g/mol
Molecular Formula：C₆H₃Cl₂N₂+
Compound Is Canonicalized：True
Exact Mass：3.8
XLogP3-AA：172.9673285
Monoisotopic Mass：172.9673285
Complexity：162
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：28.2
Heavy Atom Count：：10
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcQBjAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIIAAAACAqBECAwwIAAAACAACRCQACCAAAgBwAIiAAAZogIICKBk5GAIABggAAIyAcQAAAAAAAQAAIAABAAACAABAAAIAAAAAAAAA==