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

2-Chloro-5-nitrobenzonitrile

CAS No.
16588-02-6
Chemical Name:
2-Chloro-5-nitrobenzonitrile
Synonyms
2-chlor-5-nitrobenzonitril;2-chlor-5-nitrobenzonitrile;2-CHLORO-5-NITROBENZONITRILE;4-Chloro-3-cyanonitrobenzene;2-chloro-5-nitro-benzonitril;5-Nitro-2-chlorobenzonitrile;2-Chloro-5-nitrobenzenenitrile;1-CHLORO-2-CYANO-4-NITROBENZENE;BENZONITRILE, 2-CHLORO-5-NITRO-;4-Chloro-3-cyano-1-nitrobenzene
CBNumber:
CB5395246
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.56
MDL Number:
MFCD00007292
MOL File:
16588-02-6.mol
MSDS File:
SDS
Last updated:2025-08-08 17:45:00

2-Chloro-5-nitrobenzonitrile Properties

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)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H312+H332-H315-H319-H335
Precautionary statements  P261-P264-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338
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
NFPA 704
1
2 0

2-Chloro-5-nitrobenzonitrile price More Price(40)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 135712 2-Chloro-5-nitrobenzonitrile 99% 16588-02-6 25g $113 2025-07-31 Buy
Sigma-Aldrich 135712 2-Chloro-5-nitrobenzonitrile 99% 16588-02-6 100g $272 2023-01-07 Buy
TCI Chemical C2026 2-Chloro-5-nitrobenzonitrile >98.0%(GC) 16588-02-6 5g $42 2025-07-31 Buy
TCI Chemical C2026 2-Chloro-5-nitrobenzonitrile >98.0%(GC) 16588-02-6 25g $167 2025-07-31 Buy
TRC C596660 2-Chloro-5-nitrobenzonitrile 16588-02-6 5g $60 2021-12-16 Buy
Product number Packaging Price Buy
135712 25g $113 Buy
135712 100g $272 Buy
C2026 5g $42 Buy
C2026 25g $167 Buy
C596660 5g $60 Buy

2-Chloro-5-nitrobenzonitrile Chemical Properties,Uses,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

2-Chlorobenzonitrile

873-32-5

2-Chloro-5-nitrobenzonitrile

16588-02-6

Benzonitrile

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

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

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2-Chloro-5-nitrobenzonitrile pictures 2025-08-08 2-Chloro-5-nitrobenzonitrile
16588-02-6
 US $0.00 / KG 1KG 98%min 30tons/month WUHAN FORTUNA CHEMICAL CO., LTD
2-Chloro-5-nitrobenzonitrile pictures 2025-07-25 2-Chloro-5-nitrobenzonitrile
16588-02-6
 US $0.00-0.00 / KG 1KG 98.0% 10000KGS Shaanxi Dideu New Materials Co. Ltd
2-Chloro-5-nitrobenzonitrile pictures 2021-01-27 2-Chloro-5-nitrobenzonitrile
16588-02-6
 US $0.00 / Kg/Drum 100KG 99% 100 tons/year YANGZHOU SHUANGDING CHEM CO., LTD
2-chlor-5-nitrobenzonitril 4-Chloro-3-cyanonitrobenzene 2-chloro-5-nitrophenyl-carbonitrile 2-chloro-5-nitro-benzonitril 2-Chloro-5-nitrophenylcarbonitrle 2-CHLORO-5-NITROBENZONITRILE 2-chlor-5-nitrobenzonitrile 4-Chloro-3-cyano-1-nitrobenzene BENZONITRILE, 2-CHLORO-5-NITRO- 1-CHLORO-2-CYANO-4-NITROBENZENE 2-Chloro-5-nitrobenzenenitrile 5-Nitro-2-chlorobenzonitrile 2-Chloro-5-nitrobenzonitrile,99% 1-butylsulfonyl-3-(4-chlorophenyl)urea 2-Chloro-5-nitrobenzonitrile, 98.5% 2-Chloro-5-nitrobenzonitrile > 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