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Cas Database

97-00-7

97-00-7

Identification

  • Product Name:2,4-Dinitrochlorobenzene

  • CAS Number: 97-00-7

  • EINECS:202-551-4

  • Molecular Weight:202.554

  • Molecular Formula: C6H3ClN2O4

  • HS Code:2904.90

  • Mol File:97-00-7.mol

Synonyms:1-Chlor-2,4-dinitrobenzol;1-Chloro-2,4-dinitrobenzeen [Dutch];2,4-Dinitrophenyl chloride;2,4-Dinitro-1-chlorobenzene;Dinitrochlorobenzol;1-Cloro-2,4-dinitrobenzene;Dinitrochlorobenzene;1-Chloor-2,4-dinitrobenzeen;1-Chlor-2,4-dinitrobenzene;1-Cloro-2,4-dinitrobenzene [Italian];CDNB;1-Chloro-2,4-dinitrobenzol [German];DNCB;Benzene, 1-chloro-2,4-dinitro-;4-Chloro-1,3-dinitrobenzene;Benzene,1-chloro-2,4-dinitro-;2, 4-Dinitrophenyl chloride;4-Chloro-1, 3-dinitrobenzene;1-Chloor-2,4-dinitrobenzeen [Dutch];1-chloro-2,4-dinitro-benzene;Dinitrochlorobenzene (VAN);1-Chloor-2,4-dinitrobenzeen(DUTCH);

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Safety information and MSDS view more

  • Pictogram(s):ToxicT, DangerousN

  • Hazard Codes:T,N

  • Signal Word:Danger

  • Hazard Statement:H302 Harmful if swallowedH310 Fatal in contact with skin H315 Causes skin irritation H317 May cause an allergic skin reaction H318 Causes serious eye damage H410 Very toxic to aquatic life with long lasting effects

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled Fresh air, rest. Artificial respiration may be needed. Refer for medical attention. In case of skin contact Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer immediately for medical attention . In case of eye contact First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention. If swallowed Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention . Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016) Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Nitrates, nitrites, and related compounds/

  • Fire-fighting measures: Suitable extinguishing media To fight fire use /carbon dioxide/, dry chemical. Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016) Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Vacuum with specialist equipment (See Notes) or carefully sweep into sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Fireproof. Separated from strong oxidants, strong bases, strong reducing agents, food and feedstuffs and ammonia. Store in an area without drain or sewer access.PROTECT AGAINST PHYSICAL DAMAGE, KEEP AWAY FROM HEAT AND SOURCES OF IGNITION OR ACUTE FIRE HAZARD AREAS. STORAGE AREA SHOULD BE EQUIPPED WITH AN AUTOMATIC SPRINKLER SYSTEM IF WITHIN A BUILDING.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

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  • Manufacture/Brand:TRC
  • Product Description:1-Chloro-2,4-dinitrobenzene
  • Packaging:100mg
  • Price:$ 55
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  • Manufacture/Brand:TCI Chemical
  • Product Description:1-Chloro-2,4-dinitrobenzene >99.0%(GC)
  • Packaging:500g
  • Price:$ 71
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  • Manufacture/Brand:TCI Chemical
  • Product Description:1-Chloro-2,4-dinitrobenzene >99.0%(GC)
  • Packaging:25g
  • Price:$ 25
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Chloro-2,4-dinitrobenzene 97%
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Chloro-2,4-dinitrobenzene ≥99%
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Chloro-2,4-dinitrobenzene 97%
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Chloro-2,4-dinitrobenzene 97%
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Chloro-2,4-dinitrobenzene GR for analysis. CAS 97-00-7, molar mass 202.55 g/mol., GR for analysis
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  • Manufacture/Brand:Sigma-Aldrich
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Relevant articles and documentsAll total 40 Articles be found

Kinetics and mechanism of p-nitrochlorobenzene nitration with nitric acid

Veretennikov,Lebedev,Tselinskii

, p. 1451 - 1454 (2001)

Kinetics of homogeneous nitration of p-nitrochlorobenzene with 85-95% nitric acid was investigated. An introduction of a nitro group into a chlorobenzene molecule results in 1600 times deceleration of nitration. It was presumed from comparison of kinetic parameters and correlations of log keff for the mono- and dinitration with the acidity functions of nitric acid that the limiting stage in p-nitrochlorobenzene nitration was the transformation of diffusion pairs into reaction products, whereas in chlorobenzene nitration the limiting stage consisted in diffusion pairs formation.

Deaminative chlorination of aminoheterocycles

Ghiazza, Clément,Faber, Teresa,Gómez-Palomino, Alejandro,Cornella, Josep

, p. 78 - 84 (2021/12/23)

Selective modification of heteroatom-containing aromatic structures is in high demand as it permits rapid evaluation of molecular complexity in advanced intermediates. Inspired by the selectivity of deaminases in nature, herein we present a simple methodology that enables the NH2 groups in aminoheterocycles to be conceived as masked modification handles. With the aid of a simple pyrylium reagent and a cheap chloride source, C(sp2)?NH2 can be converted into C(sp2)?Cl bonds. The method is characterized by its wide functional group tolerance and substrate scope, allowing the modification of >20 different classes of heteroaromatic motifs (five- and six-membered heterocycles), bearing numerous sensitive motifs. The facile conversion of NH2 into Cl in a late-stage fashion enables practitioners to apply Sandmeyer- and Vilsmeier-type transforms without the burden of explosive and unsafe diazonium salts, stoichiometric transition metals or highly oxidizing and unselective chlorinating agents. [Figure not available: see fulltext.]

2,2,2-Trifluoroacetaldehyde O-(Aryl)oxime: A Precursor of Trifluoroacetonitrile

Lin, Bo,Yao, Yunfei,Huang, Yangjie,Weng, Zhiqiang

, p. 2055 - 2058 (2022/03/31)

The preparation of 2,2,2-trifluoroacetaldehyde O-(aryl)oxime, a previously inaccessible precursor of trifluoroacetonitrile, via reaction of hydroxylamine and trifluoroacetaldehyde hydrate is reported. This precursor released CF3CN in quantitative yield under mildly basic conditions. The precursor was successfully used in the synthesis of trifluoromethylated oxadiazoles. The facile, cost-effective, scalable, and recyclable procedure makes these trifluoroacetonitrile precursors generally applicable.

Self-powered continuous nitration method and device

-

Paragraph 0061-0064, (2021/07/17)

The invention belongs to the technical field of organic synthesis application, and particularly relates to a self-powered continuous nitration method and device. According to the method, a raw material (or a raw material solution) and mixed acid (or nitric acid) are added into a self-powered continuous reactor at the same time, reaction feed liquid continuously and circularly flows, is mixed and reacts in a tube pass through self-propelling force generated by stirring of an impeller, the mass and heat transfer process is completed, and the target requirement is met. According to the invention, the mass transfer and heat transfer efficiency can be improved, the heat exchange and heat transfer capabilities are improved, the reaction time is shortened, the risk degree of art is reduced, the thermal runaway risk is avoided, the reaction safety is improved, and the realization of chemical industry intrinsic safety large scale production is facilitated.

Novel viologen compound and preparation thereof

-

Paragraph 0154-0155, (2020/07/23)

The invention relates to novel viologen compounds and a preparation method thereof. Specifically, the invention provides a type of compounds with a structure shown by a formula I. The definitions of the groups are as in the specifications. The compounds of the formula I provided by the invention can be widely applied in the aspects of soft matter material construction, photoelectric materials, and solar cells.

Nitrification method for preparing dinitrochlorobenzene by catalyzing chlorobenzene through ionic liquid

-

Paragraph 0029-0071, (2019/04/17)

The invention discloses a nitrification method for preparing dinitrochlorobenzene by catalyzing chlorobenzene through ionic liquid, including the steps of mixing chlorobenzene and a catalyst, heatingto be 50-60 DEG C, mixing with stirring for 2-4 hours to obtain a mixture; respectively adding the mixture and nitric acid solution into a microchannel reactor, performing nitrification in the microchannel reactor, discharging from an outlet, standing for 24 hours, extracting subnatant, and then washing, neutralizing and drying the subnatant to obtain dinitrochlorobenzene. The method is green andenvironmentally friendly as generating of a great quantity of waste acid is avoided in production; reaction in the method has high selectivity and high yield, and 2,4-dinitrochlorobenzene prepared bythe method has high purity.

Process route upstream and downstream products

Process route

4-Chlorophenylboronic acid
1679-18-1

4-Chlorophenylboronic acid

4-chlorobenzonitrile
100-00-5

4-chlorobenzonitrile

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
Conditions Yield
With ammonium nitrate; trifluoroacetic anhydride; In acetonitrile; at -35 ℃; for 6h;
46%
32%
chlorobenzene
108-90-7

chlorobenzene

3-Nitrochlorobenzene
121-73-3

3-Nitrochlorobenzene

4-chlorobenzonitrile
100-00-5

4-chlorobenzonitrile

2-Chloronitrobenzene
88-73-3

2-Chloronitrobenzene

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
Conditions Yield
With caprolactam hydrogen sulfate; nitric acid; acetic anhydride; at 60 ℃; for 2.5h; Reagent/catalyst; Temperature; Concentration; Overall yield = 65.36 %; regioselective reaction; Catalytic behavior;
chlorobenzene
108-90-7

chlorobenzene

4-chlorobenzonitrile
100-00-5

4-chlorobenzonitrile

2-Chloronitrobenzene
88-73-3

2-Chloronitrobenzene

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
Conditions Yield
With nitric acid; acetic anhydride; at 0 - 20 ℃; for 0.166667h; Overall yield = 76 %;
2-Chloronitrobenzene
88-73-3

2-Chloronitrobenzene

1,2-Dichloro-3-nitrobenzene
3209-22-1

1,2-Dichloro-3-nitrobenzene

1-chloro-2,6-dinitrobenzene
606-21-3

1-chloro-2,6-dinitrobenzene

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

2,5-dichloronitrobenzene
89-61-2

2,5-dichloronitrobenzene

Conditions
Conditions Yield
With hydrogenchloride; sulfuric acid; nitric acid; at 25 ℃; Product distribution;
94.8 % Chromat.
6.7 % Chromat.
0.2 % Chromat.
0.3 % Chromat.
(2,4-dinitro-phenyl)-hydrazine
119-26-6

(2,4-dinitro-phenyl)-hydrazine

meta-dinitrobenzene
99-65-0

meta-dinitrobenzene

2,4-dinitrobromobenzene
584-48-5

2,4-dinitrobromobenzene

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
Conditions Yield
With ammonium cerium (IV) nitrate; 1,2-dibromo-1,1,2,2-tetrachloroethane; In methanol; at 20 ℃; for 0.0833333h;
80%
10%
1%
chlorobenzene
108-90-7

chlorobenzene

1-chloro-2,6-dinitrobenzene
606-21-3

1-chloro-2,6-dinitrobenzene

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
Conditions Yield
With Perfluorooctanesulfonic acid; nitric acid; ytterbium(III) perfluorooctanesulfonate; In hexane; at 60 ℃; for 18h;
97%
3%
With Nitrogen dioxide; In dichloromethane; at -10 ℃; Further Variations:; Reagents; Product distribution;
2-Chloronitrobenzene
88-73-3

2-Chloronitrobenzene

1-chloro-2,6-dinitrobenzene
606-21-3

1-chloro-2,6-dinitrobenzene

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
Conditions Yield
With sulfuric acid; nitric acid;
With sulfuric acid; nitric acid;
With H-Faujasite 720; dinitrogen pentoxide; In dichloromethane; at 0 ℃; for 2h; Further Variations:; Reagents; Kinetics;
With dinitrogen pentoxide; H-faujasite zeolite F-712; In dichloromethane; at 0 ℃; Further Variations:; Catalysts; Kinetics;
With dinitrogen pentoxide; H-faujasite zeolite F-712; In dichloromethane; at 0 ℃;
With Nitrogen dioxide; In dichloromethane; at -10 ℃; Further Variations:; Reagents; Product distribution;
sulfuric acid
7664-93-9

sulfuric acid

2-Chloronitrobenzene
88-73-3

2-Chloronitrobenzene

1-chloro-2,6-dinitrobenzene
606-21-3

1-chloro-2,6-dinitrobenzene

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
Conditions Yield
2-chloro-5-nitrobenzoic acid
2516-96-3

2-chloro-5-nitrobenzoic acid

2-chloro-3,5-dinitrobenzoic acid
2497-91-8

2-chloro-3,5-dinitrobenzoic acid

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
Conditions Yield
With nitric acid; dinitrogen pentoxide; at 25 ℃; Product distribution;
4-chloro-3-nitrobenzoate
96-99-1

4-chloro-3-nitrobenzoate

1-chloro-2,4-dinitro-benzene
97-00-7

1-chloro-2,4-dinitro-benzene

4-chloro-3,5-dinitrobenzoic acid
118-97-8

4-chloro-3,5-dinitrobenzoic acid

Conditions
Conditions Yield
With nitric acid; dinitrogen pentoxide; at 25 ℃; Product distribution; addition of nitronium trifluoromethanesulphonate;

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