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610-40-2

Basic Information
CAS No.: 610-40-2
Name: 3,4-Dinitrochlorobenzene
Article Data: 11
Molecular Structure:
Molecular Structure of 610-40-2 (3,4-Dinitrochlorobenzene)
Formula: C6H3ClN2O4
Molecular Weight: 202.554
Synonyms: 1,2-Dinitro-4-chlorobenzene;1-Chloro-3,4-dinitrobenzene;3,4-Dinitrochlorobenzene;4-Chloro-1,2-dinitrobenzene;NSC 119343;
EINECS: 210-223-7
Density: 1.619 g/cm3
Melting Point: 40-41 ºC
Boiling Point: 335.1 °C at 760 mmHg
Flash Point: 156.5 °C
Solubility: insoluble in water, soluble in hot ethanol, ethyl ether
Appearance: yellow liquid or needle-like crystals
Hazard Symbols: ToxicT,DangerousN
Risk Codes: 23/24/25-33-50/53
Safety: 28-36/37-45-60-61
Transport Information: UN 3441
PSA: 91.64000
LogP: 3.20280
Synthetic route
121-73-3

3-Chloronitrobenzene

610-40-2

3,4-dinitro-chlorobenzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 30℃; for 1h;97%
With sulfuric acid; uronium nitrate at 0 - 20℃; Nitration;77%
With sulfuric acid; potassium nitrate
With sulfuric acid; potassium nitrate
89-63-4

4-Chloro-2-nitroaniline

610-40-2

3,4-dinitro-chlorobenzene

Conditions
ConditionsYield
With sulfuric acid; acetic acid; tetra-n-propylammonium bromate for 1.5h; Heating;86%
610-41-3

3,4-dinitroaniline

610-40-2

3,4-dinitro-chlorobenzene

Conditions
ConditionsYield
With phosphonic Acid; nitrosylsulfuric acid; sulfuric acid Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl in konz. wss. HCl;
88-73-3

2-Chloronitrobenzene

610-40-2

3,4-dinitro-chlorobenzene

Conditions
ConditionsYield
durch Nitrieren;
577-71-9

3,4-dinitophenol

610-40-2

3,4-dinitro-chlorobenzene

Conditions
ConditionsYield
With trichlorophosphate In N,N-dimethyl-formamide for 2h; Ambient temperature;
α-form

α-form

610-40-2

3,4-dinitro-chlorobenzene

Conditions
ConditionsYield
at 39 - 40℃; (Herstellung der β-Form);
β-form

β-form

610-40-2

3,4-dinitro-chlorobenzene

Conditions
ConditionsYield
at 42℃; (Herstellung der fluessigen Form);
121-73-3

3-Chloronitrobenzene

7664-93-9

sulfuric acid

7697-37-2

nitric acid

610-40-2

3,4-dinitro-chlorobenzene

610-40-2

3,4-dinitro-chlorobenzene

95-83-0

4-Chloro-1,2-phenylenediamine

Conditions
ConditionsYield
With sodium tetrahydroborate; C16H18Cl2N4O2Pd In water at 27℃; for 0.25h;99%
With hydrogenchloride; tin
With sodium tetrahydroborate In water at 20℃; for 40h;
610-40-2

3,4-dinitro-chlorobenzene

1226-42-2

1,2-bis(4-methoxyphenyl)-1,2-ethanedione

6-chloro-2,3-bis(4-methoxyphenyl)quinoxaline

Conditions
ConditionsYield
With tin(ll) chloride In ethanol; water for 4h; Reflux;98%
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Specification

The Benzene,4-chloro-1,2-dinitro-, with the CAS registry number 610-40-2, is also known as 3,4-Dinitrochlorobenzene. It belongs to the product categories of Benzene derivates; API intermediates. Its EINECS number is 210-223-7. This chemical's molecular formula is C6H3ClN2O4 and formula weight is 202.55. What's more, its IUPAC name is 4-chloro-1,2-dinitrobenzene.

Physical properties of Benzene,4-chloro-1,2-dinitro- are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 53.99; (5)ACD/BCF (pH 7.4): 53.99; (6)ACD/KOC (pH 5.5): 604.8; (7)ACD/KOC (pH 7.4): 604.8; (8)#H bond acceptors: 6; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 91.64 Å2; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 44.23 cm3; (14)Molar Volume: 125 cm3; (15)Surface Tension: 64.2 dyne/cm; (16)Density: 1.619 g/cm3; (17)Flash Point: 156.5 °C; (18)Enthalpy of Vaporization: 55.52 kJ/mol; (19)Boiling Point: 335.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000237 mmHg at 25°C.

Uses of Benzene,4-chloro-1,2-dinitro-: it can be used to produce N-cyclohexyl-2-nitro-5-chloro-aniline at the ambient temperature. It will need solvent ethanol with the reaction time of 8 hours. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. It is danger of cumulative effects. It is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. This chemical should avoid release to the environment. You need refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+](=O)[O-]
(2)InChI: InChI=1S/C6H3ClN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H
(3)InChIKey: QVQSOXMXXFZAKU-UHFFFAOYSA-N