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97-00-7

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Basic Information
CAS No.: 97-00-7
Name: 2,4-Dinitrochlorobenzene
Article Data: 78
Molecular Structure:
Molecular Structure of 97-00-7 (2,4-Dinitrochlorobenzene)
Formula: C6H3ClN2O4
Molecular Weight: 202.554
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);
EINECS: 202-551-4
Density: 1.619 g/cm3
Melting Point: 48-50 °C(lit.)
Boiling Point: 315 °C at 760 mmHg
Flash Point: 140.5 °C
Solubility: insoluble in water
Appearance: yellow crystals with an almond odour
Hazard Symbols: ToxicT, DangerousN
Risk Codes: 23/24/25-33-50/53
Safety: 28-36/37-45-60-61-28A
Transport Information: UN 3441 6.1/PG 2
PSA: 91.64000
LogP: 3.20280
Synthetic route
100-00-5

4-chlorobenzonitrile

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 25℃; Product distribution; variation of oleum concentration;100%
Stage #1: 4-chlorobenzonitrile With nitric acid at 20℃;
Stage #2: With sulfuric acid for 0.5h;
96%
With trifluoromethylsulfonic anhydride; ethylammonium nitrate at 0 - 40℃; for 9h; Inert atmosphere; regioselective reaction;78%
108-90-7

chlorobenzene

A

606-21-3

1-chloro-2,6-dinitrobenzene

B

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With Perfluorooctanesulfonic acid; nitric acid; ytterbium(III) perfluorooctanesulfonate In hexane at 60℃; for 18h;A 3%
B 97%
With Nitrogen dioxide In dichloromethane at -10℃; Product distribution; Further Variations:; Reagents; Kyodai nitration;
108-90-7

chlorobenzene

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With tungsten trioxide; disodium hydrogenphosphate; NaMoO4; nitric acid; sodium carbonate at 55 - 70℃; for 24h; Temperature;94.9%
With sulfuric acid; nitric acid
With sulfuric acid; potassium nitrate man giesst auf Eis und krystallisiert aus Alkohol um;
97-02-9

2,4-Dinitroanilin

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With chloro-trimethyl-silane; N-benzyl-N,N,N-triethylammonium chloride; sodium nitrite In tetrachloromethane 1.) 0 deg C, 1.5 h, 2.) r.t., 14 h;92%
With nitrosylsulfuric acid; phosphoric acid; sulfuric acid Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl in konz. wss. HCl;

2,4-dinitrobenzenediazonium o-benzenedisulfonimide

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride In acetonitrile at 20℃; for 0.75h; Substitution;90%
Multi-step reaction with 2 steps
1: 94 percent / aq. NaOH / 0.5 h / 0 - 5 °C
2: 77 percent / aq. HCl; HBF4; Cu / acetonitrile / 2 h / 60 °C
View Scheme
119-26-6

(2,4-dinitro-phenyl)-hydrazine

A

99-65-0

meta-dinitrobenzene

B

584-48-5

2,4-dinitrobromobenzene

C

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With ammonium cerium (IV) nitrate; 1,2-dibromo-1,1,2,2-tetrachloroethane In methanol at 20℃; for 0.0833333h;A 80%
B 10%
C 1%
51-28-5

2,4-Dinitrophenol

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With phosphorus pentoxide; N,N-dimethyl-formamide; zinc(II) chloride at 60 - 70℃; for 1h;78%
With N,N-diethylaniline; trichlorophosphate
With phosphorus pentachloride
With trichlorophosphate In N,N-dimethyl-formamide for 2h; Ambient temperature;
401631-88-7

C8H9N5O4

A

99-65-0

meta-dinitrobenzene

B

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With hydrogenchloride; tetrafluoroboric acid; copper In acetonitrile at 60℃; for 2h;A 5%
B 77%
1679-18-1

4-Chlorophenylboronic acid

A

100-00-5

4-chlorobenzonitrile

B

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With ammonium nitrate; trifluoroacetic anhydride In acetonitrile at -35℃; for 6h; Nitration; Ipso-nitration;A 32%
B 46%
62088-24-8

1-chloro-3-hydrazino-4,6-dinitrobenzene

97-00-7

1-chloro-2,4-dinitro-benzene

Conditions
ConditionsYield
With ethanol; copper(II) sulfate
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    97-00-7

    1-Chloro-2,4-dinitrobenzene 97-00-7

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    high purity lowest priceAppearance:solid or liquid Storage:in sealed air resistant place Package:Foil bag; Drum; Plastic bottle Application:Pharma;Industry;Agricultural Transportation:by sea or air Port:any port in China

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Chemistry

IUPAC Name:1-chloro-2,4-dinitrobenzene
Molecular Formula:C6H3ClN2O4
Molecular Weight:202.552020 g/mol
Appearance:yellow orthorhombic crystal
Melting Point:48-50 °C(lit.)
Boiling Point:315 °C(lit.)
Flash Point:367 °F
Solubility:ether, benzene, carbon disulfide, hot ethanol
Insolubility:water
density:314
refractive index:1.5857 
Merck:14,2136
BRN:613161
CAS DataBase Reference:97-00-7(CAS DataBase Reference)
NIST Chemistry Reference:97-00-7(NIST)
EPA Substance Registry System:97-00-7(EPA Substance)
Synonyms of 1-CHLORO-2,4-DINITROBENZENE(97-00-7):
Chlorodinitrobenzene;CDN;2,4 DINITRO-1-CHLOROBENZENE;1-CHLORO-2,4-DINITROBENZENE;1,3-dinitro-4-chlorobenzene;4-Chloro-1,3-dinitrobenzene;dinitrochlorobenzene;2,4-DINITROCHLOROBENZENE
Categories of 1-CHLORO-2,4-DINITROBENZENE(97-00-7):
Intermediates of Dyes and Pigments;blocks;NitroCompounds;Organics;Benzene derivates

Uses

1-CHLORO-2,4-DINITROBENZENE(97-00-7)  is mainly used as dyes, pesticides, pharmaceutical intermediates.
1-CHLORO-2,4-DINITROBENZENE(97-00-7) is used as analytical reagent.

Toxicity Data With Reference

1.   

skn-hmn 30 µg

   CODEDG    Contact Dermatitis. Environmental and Occupational Dermatitis. 2 (1976),247.
2.   

skn-rbt 100 µg/24H open

   AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
3.   

skn-rbt 2 mg/24H SEV

   85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague,Czechoslovakia, Avicenum.: 1986,600.
4.   

eye-rbt 50 µg/24H SEV

   85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague,Czechoslovakia, Avicenum.: 1986,600.
5.   

mmo-sat 3 µg/plate

   ARDEAC    Archives of Dermatology. 121 (1985),348.
6.   

mma-sat 50 µg/plate

   ADREDL    Archives of Dermatological Research. 266 (1979),315.
7.   

dnd-mus-ipr 30 mg/kg

   MUREAV    Mutation Research. 116 (1983),239.
8.   

otr-ham:kdy 10 mg/L

   ARTODN    Archives of Toxicology. 45 (1980),307.
9.   

orl-rat LD50:780 mg/kg

   GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 32 (2)(1988),48.
10.   

ipr-rat LD50:280 mg/kg

   AGGHAR

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of 1-CHLORO-2,4-DINITROBENZENE(97-00-7):
Hazard Codes:T  ,N 
Risk Statements:23/24/25-33-50/53
23/24/25:Toxic by inhalation, in contact with skin and if swallowed 
33:Danger of cumulative effects 
50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment  
Safety Statements:28-36/37-45-60-61-28A
28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 
36/37:Wear suitable protective clothing and gloves 
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
60:This material and/or its container must be disposed of as hazardous waste 
61:Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR:UN 3441 6.1/PG 2
WGK Germany:2
RTECS:CZ0525000
Hazard Note:Toxic
HazardClass:6.1
PackingGroup:II
Hazardous Substances Data:97-00-7(Hazardous Substances Data)
Poison by skin contact and intraperitoneal routes. Moderately toxic by ingestion. A severe human skin and eye irritant. Acts as a primary irritant as well as a sensitizer of skin. An allergen. Mutation data reported. Combustible when exposed to heat or flame. A moderate explosion hazard when exposed to flame, sparks, heated to 150°, or when shocked in a sealed container. Explosive reaction with ammonia at 170°C/40 bar. To fight fire, use CO2, dry chemical. Reacts violently with hydrazine sulfate or hydrazine hydrate. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.