Encyclopedia / Pharmaceutical Intermediates / Organic Intermediate

2,3-DINITROANILINE

CAS：602-03-9
MW:183.1216
MF：C6H5N3O4

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2,3-DINITROANILINE

1.2 Synonyms: (2,3-dinitrophenyl)amine; 1-amino-2,3-dinitrobenzene; 2,3-DIFLUORO-4-HYDROXYPHENYLBORONIC ACID; 2,3-Dinitro-anilin; 2,3-DINITROANILINE; 2,3-dinitro-aniline; 2,3-Dinitrobenzenamine; 2,3-dinitro-benzenamine; Aniline, 2,3-dinitro-; Aniline,2,3-dinitro; Benzenamine, 2,3-dinitro-; Benzenamine,2,3-dinitro; dinitro-aniline; Dinitroanilinen; NSC 37400;

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1.3 CAS No.: 602-03-9

1.4 CID: 136400

1.5 Molecular Formula: C6H5N3O4

1.6 Inchi: InChI=1S/C6H5N3O4/c7-4-2-1-3-5(8(10)11)6(4)9(12)13/h1-3H,7H2

1.7 InChkey: CGNBQYFXGQHUQP-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N

1.9 Isomers Smiles: C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N

2. Properties

2.1 Appearance: Dinitroaniline appears as a yellow colored needle-like solid. Insoluble in water and denser than water. Toxic by ingestion and inhalation. May irritate skin and eyes. Used to make dyes and ink.

2.2 pKa: -2.39±0.10(Predicted)

3. Use and Manufacturing

3.1 Description: DINITROANILINE is a yellow colored needle-like solid. Insoluble in water and denser than water. Toxic by ingestion and inhalation. May irritate skin and eyes. Used to make dyes and ink.

4. 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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5. Synthesis Route

602-03-9Total: 11 Synthesis Route

99-09-2 58 Suppliers

602-03-9 11 Suppliers

122-28-1 18 Suppliers

602-03-9 11 Suppliers

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6. Precursor and Product

precursor:

100663-84-1

66-56-8

95182-27-7

57-13-6

99-09-2

122-28-1

74497-02-2

55739-01-0

60956-27-6

64-19-7

57399-97-0

product:

66-56-8

21397-07-9

608-27-5

15822-77-2

80866-77-9

26429-41-4

769-11-9

3531-19-9

608-32-2

7. Computed Properties

Molecular Weight：183.1216g/mol
Molecular Formula：C₆H₅N₃O₄
Compound Is Canonicalized：True
XLogP3-AA：183.02800565
Monoisotopic Mass：183.02800565
Complexity：221
Rotatable Bond Count：0
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：118
Heavy Atom Count：：13
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：AAADcYBjOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAUAAAACAiBEAAwwIBQQACBACRCQwCCAAAgAgAoiAAAdIoIYCKA0dGAIABgkIAIyAcQAAAAAAAAAAQAACAAAAAACAAAQAAAAAAAAA==

8. Toltal 10 Suppliers View more

Atomax Chemicals Co.,Ltd

Tel: Update Time:2019/07/29

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Struchem Co Ltd

Tel: Update Time:2016/12/15

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Changzhou Ansciep Chemical Co.,Ltd.

Tel: Update Time:2019/02/25

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Antimex Chemical Limied

Tel: Update Time:2019/02/24

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Rosewell Industry Co., Ltd

Tel: Update Time:2017/04/06

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9. Realated Product Infomation