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CAS No.: | 610-40-2 |
---|---|
Name: | 3,4-Dinitrochlorobenzene |
Article Data: | 11 |
Molecular Structure: | |
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: | T,N |
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 |
Conditions | Yield |
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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 |
Conditions | Yield |
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With sulfuric acid; acetic acid; tetra-n-propylammonium bromate for 1.5h; Heating; | 86% |
Conditions | Yield |
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With phosphonic Acid; nitrosylsulfuric acid; sulfuric acid Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl in konz. wss. HCl; |
Conditions | Yield |
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durch Nitrieren; |
Conditions | Yield |
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With trichlorophosphate In N,N-dimethyl-formamide for 2h; Ambient temperature; |
3,4-dinitro-chlorobenzene
Conditions | Yield |
---|---|
at 39 - 40℃; (Herstellung der β-Form); |
3,4-dinitro-chlorobenzene
Conditions | Yield |
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at 42℃; (Herstellung der fluessigen Form); |
3-Chloronitrobenzene
sulfuric acid
nitric acid
3,4-dinitro-chlorobenzene
Conditions | Yield |
---|---|
With sodium tetrahydroborate; C16H18Cl2N4O2Pd In water at 27℃; for 0.25h; | 99% |
With hydrogenchloride; tin | |
With sodium tetrahydroborate In water at 20℃; for 40h; |
Conditions | Yield |
---|---|
With tin(ll) chloride In ethanol; water for 4h; Reflux; | 98% |
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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