1,2,3-Trichloro-4-nitrobenzene

Basic Information

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CAS Number

17700-09-3

Molecular Formula

C6H2Cl3NO2

Molecular Weight

226.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

54.0 to 57.0 deg-C

Boiling Point

296.2 °C at 760 mmHg

Refractive Index

1.6300 (estimate)

SMILES

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C1=CC(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl

InChI

InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

InChIKey

BGKIECJVXXHLDP-UHFFFAOYSA-N

LogP

4.07820

Complexity

184

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

UNII-339A4728AK
1,2,3-tris(chloranyl)-4-nitro-benzene
2,3,4-Trichloro-1-nitrobenzene
DTXCID806202
Q27256251
2,4-Trichloronitrobenzene
SMR001224480
AKOS015890182
SCHEMBL278488
FT-0609375
W-107833
EINECS 241-705-5
1,2,3-Trichloronitrobenzene
Trichloronitrobenzene
TRICHLORONITROBENZENE, 2,3,4-
NCGC00091260-01
AC-26229
CS-0157190
1-Nitro-2,3,4-trichlorobenzene
MLS002152856
2,3,4-trichloronitro-benzene
1,2,3-Trichloro-4-nitrobenzene, 97%
NCGC00091260-02
T1197
InChI=1/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2
EN300-185712
Tox21_200670
2,3,4-TRICHLORONITROBENZENE
339A4728AK
EINECS 249-716-7
cid_28697

MDL Number

MFCD00007063

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1,2,3-Trichloro-4-nitrobenzene (CAS: 17700-09-3)?

1,2,3-Trichloro-4-nitrobenzene (CAS: 17700-09-3) is a solid at room temperature with a crystalline form. Its molecular weight is approximately 227.01 g/mol. This compound is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It shows moderate reactivity towards reducing agents and nucleophiles.

How is 1,2,3-Trichloro-4-nitrobenzene (CAS: 17700-09-3) typically synthesized?

1,2,3-Trichloro-4-nitrobenzene can be synthesized by nitrating 1,2,3-trichlorobenzene in the presence of a suitable oxidizing agent such as fuming nitric acid. The reaction proceeds with high selectivity and yields around 80-90% of the product under appropriate conditions.

What industries use 1,2,3-Trichloro-4-nitrobenzene (CAS: 17700-09-3)?

1,2,3-Trichloro-4-nitrobenzene (CAS: 17700-09-3) is primarily used in the synthesis of dyes, pharmaceuticals, and as an intermediate in organic synthesis. It is also utilized in the production of some agricultural chemicals and in the development of sensors and semiconductors.

What precautions should be taken when handling 1,2,3-Trichloro-4-nitrobenzene (CAS: 17700-09-3)?

When handling 1,2,3-Trichloro-4-nitrobenzene (CAS: 17700-09-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood, and ensure proper spill containment and disposal according to safety data sheet (SDS) guidelines to prevent exposure and environmental contamination.