ChemicalBook > CAS DataBase List > 2-Chloro-5-nitrobenzonitrile

2-Chloro-5-nitrobenzonitrile

Product Name: 2-Chloro-5-nitrobenzonitrile
CAS No.: 16588-02-6
Chemical Name: 2-Chloro-5-nitrobenzonitrile
Synonyms: 2-chlor-5-nitrobenzonitril;2-chlor-5-nitrobenzonitrile;4-Chloro-3-cyanonitrobenzene;2-chloro-5-nitro-benzonitril;2-CHLORO-5-NITROBENZONITRILE;5-Nitro-2-chlorobenzonitrile;2-Chloro-5-nitrobenzenenitrile;BENZONITRILE, 2-CHLORO-5-NITRO-;4-Chloro-3-cyano-1-nitrobenzene;1-CHLORO-2-CYANO-4-NITROBENZENE
CBNumber: CB5395246
Molecular Formula: C7H3ClN2O2
Formula Weight: 182.56
MOL File: 16588-02-6.mol

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2-Chloro-5-nitrobenzonitrile Property

Melting point:: 105-107 °C (lit.)
Boiling point:: 122 °C / 0.6mmHg
Density: 1.6133 (rough estimate)
refractive index: 1.5557 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Orange to Green
BRN: 1818642
InChI: InChI=1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
InChIKey: ZGILLTVEEBNDOB-UHFFFAOYSA-N
SMILES: C(#N)C1=CC([N+]([O-])=O)=CC=C1Cl
CAS DataBase Reference: 16588-02-6(CAS DataBase Reference)

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Safety

Hazard Codes: Xn,Xi
Risk Statements: 20/21/22-36/37/38
Safety Statements: 26-37/39-36
RIDADR: 3276
WGK Germany: 3
RTECS: DI3040000
HazardClass: IRRITANT
HS Code: 29269090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

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

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 135712
Product name: 2-Chloro-5-nitrobenzonitrile
Purity: 99%
Packaging: 25g
Price: $113
Updated: 2025/07/31

Sigma-Aldrich

Product number: 135712
Product name: 2-Chloro-5-nitrobenzonitrile
Purity: 99%
Packaging: 100g
Price: $272
Updated: 2023/01/07

TCI Chemical

Product number: C2026
Product name: 2-Chloro-5-nitrobenzonitrile
Purity: >98.0%(GC)
Packaging: 5g
Price: $42
Updated: 2025/07/31

TCI Chemical

Product number: C2026
Product name: 2-Chloro-5-nitrobenzonitrile
Purity: >98.0%(GC)
Packaging: 25g
Price: $167
Updated: 2025/07/31

TRC

Product number: C596660
Product name: 2-Chloro-5-nitrobenzonitrile
Packaging: 5g
Price: $60
Updated: 2021/12/16

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2-Chloro-5-nitrobenzonitrile Chemical Properties,Usage,Production

Chemical Properties

LIGHT YELLOW CRYSTALLINE POWDER. 2-Chloro-5-nitrobenzonitrile [16588-02-6], 1-chloro-2-cyano-4-nitrobenzene, Mr 182.57, mp 108 – 109℃, forms yellow needle-shaped crystals. The chlorine atom ortho to the nitrile group is prone to a range of nucleophilic substitution reactions, of which that with ammonia has achieved industrial importance. The nitrile is produced by nitration of 2-chlorobenzonitrile (see above) at 0 ℃.

Uses

2-Chloro-5-nitrobenzonitrile was used in online detection of rat glutathione S-transferase P1-specific inhibitors by high-resolution screening technology.

General Description

2-Chloro-5-nitrobenzonitrile effectively conjugates with rat glutathione S-transferase (GST) isoenzymes and is an alternative model substrate in GST-research.

Synthesis

873-32-5

16588-02-6

100-47-0

In one embodiment of the present invention, a medium concentration of sulfuric acid solution and a medium concentration of nitric acid solution are accurately metered in proportion to each other in an acid mixing kettle. After mixing, the mixed acid is transferred to the metering tank and supplemented with an appropriate amount of nitric acid to ensure the required acidity for the reaction. Subsequently, the reaction was initiated by slowly adding 654 kg of o-chlorobenzonitrile to the nitrification reactor through the metering tank. The nitrification reaction temperature was controlled between 11 °C and 60 °C, and the reaction mixture was kept stirred in this temperature range for 1 h to ensure that the reaction proceeded adequately. The reaction process is shown in Figure 1. The specific feed amounts of the raw materials and their quality standards are detailed in Table 2. 30 kg of sulfuric acid at a concentration of 90% and 30 kg of nitric acid at a concentration of 90% were used as catalysts in the reaction system, and the amount of phthalonitrile fed was 564 kg. The composition of the reaction products was analyzed in Table 3, in which the content of 2-chloro-5-nitrobenzonitrile was 97.95%, the content of hexanitrobenzene was 1.28%, and the content of benzonitrile was 0.17%.

References

[1] Patent: CN105859581, 2016, A. Location in patent: Paragraph 4; 5

2-Chloro-5-nitrobenzonitrile Preparation Products And Raw materials

Raw materials

2-Chlorobenzonitrile

Preparation Products

5-Nitroanthranilonitrile

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2-Chloro-5-nitrobenzonitrile Suppliers

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View Lastest Price from 2-Chloro-5-nitrobenzonitrile manufacturers

WUHAN FORTUNA CHEMICAL CO., LTD

Product: 2-Chloro-5-nitrobenzonitrile 16588-02-6
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%min
Supply Ability: 30tons/month
Release date: 2025-09-11

Shaanxi Dideu New Materials Co. Ltd

Product: 2-Chloro-5-nitrobenzonitrile 16588-02-6
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98.0%
Supply Ability: 10000KGS
Release date: 2025-05-20

YANGZHOU SHUANGDING CHEM CO., LTD

Product: 2-Chloro-5-nitrobenzonitrile 16588-02-6
Price: US $0.00/Kg/Drum
Min. Order: 100KG
Purity: 99%
Supply Ability: 100 tons/year
Release date: 2020-08-11

16588-02-6, 2-Chloro-5-nitrobenzonitrileRelated Search:

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BENZONITRILE, 2-CHLORO-5-NITRO-

1-CHLORO-2-CYANO-4-NITROBENZENE

2-Chloro-5-nitrobenzenenitrile

5-Nitro-2-chlorobenzonitrile

2-Chloro-5-nitrobenzonitrile,99%

2-Chloro-5-nitrobenzonitrile &gt

2-Chloro-5-nitrobenzonitrile ISO 9001：2015 REACH

16588-02-6

C7H3N2O2Cl

C7H3ClN2O2

C6 to C7

Building Blocks

Cyanides/Nitriles

Organic Building Blocks

Nitrogen Compounds

API Intermediate

blocks

Carboxes

NitroCompounds

Aromatic Nitriles

C6 to C7

Cyanides/Nitriles

Nitrogen Compounds