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| CAS No.: | 99-54-7 |
|---|---|
| Name: | 3,4-Dichloronitrobenzene |
| Molecular Structure: | |
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| Formula: | C6H3Cl2NO2 |
| Molecular Weight: | 192.001 |
| Synonyms: | DCNB;1,2-dichloro-4-nitro-benzene;1-Nitro-3,4-dichlorobenzene;Benzene, 1,2-dichloro-4-nitro-;3,4-Dichloronitrobenzen [Czech];3,4-Dichlornitrobenzen [Czech];3,4-Dichloro Nitrobenzene; |
| EINECS: | 202-764-2 |
| Density: | 1.533 g/cm3 |
| Melting Point: | 39-41 °C(lit.) |
| Boiling Point: | 255.5 °C at 760 mmHg |
| Flash Point: | 123.9 °C |
| Solubility: | water: 151 mg/L (20 °C) |
| Appearance: | colourless to yellow crystals or beige powder |
| Hazard Symbols: |
 Xn, N
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| Risk Codes: | 22-36-43-51/53 |
| Safety: | 26-36/37-61-39 |
| PSA: | 45.82000 |
| LogP: | 3.42480 |
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Specification
The 3,4-Dichloronitrobenzene with cas registry number of 99-54-7 is a kind of colourless to yellow crystals or beige powder. It is stable but incompatible with strong oxidizing agents, strong bases. It has the EINECS registry number of 202-764-2. In addition, this chemical has several superlist names which include 3,4-Dichloronitrobenzene and Benzene, 1,2-dichloro-4-nitro-. Both its systematic name and IUPAC name are the same which is called 3,4-Dichloronitrobenzene. It belongs to the following categories: Intermediates of Dyes and Pigments; Aromatic Halides (substituted); Organics; Benzene derivates.
The physical properties about this chemical are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.45; (6)ACD/BCF (pH 7.4): 149.45; (7)ACD/KOC (pH 5.5): 1253.48; (8)ACD/KOC (pH 7.4): 1253.48; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 42.58 cm3; (14)Molar Volume: 125.1 cm3; (15)Surface Tension: 50.9 dyne/cm; (16)Density: 1.533 g/cm3; (17)Flash Point: 123.9 °C; (18)Enthalpy of Vaporization: 47.31 kJ/mol; (19)Boiling Point: 255.5 °C at 760 mmHg; (20)Vapour Pressure: 0.026 mmHg at 25°C; (21)Water solubility: 151 mg/L (20 °C).
Uses of 3,4-Dichloronitrobenzene: it can produce N-(3,4-dichloro-phenyl)-hydroxylamine together with reagent hydrazine and catalyst Pd / C.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes. Therefore, wear suitable protective clothing and gloves, eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, avoid release to the environment, beacause it is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
(2)Smiles: c1(cc(c(Cl)cc1)Cl)[N+](=O)[O-]
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | skin | 790mg/kg (790mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 47, 1982. | |
| guinea pig | LD50 | oral | 500mg/kg (500mg/kg) | National Technical Information Service. Vol. OTS0536149, | |
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | National Technical Information Service. Vol. OTS0533585, |
| mouse | LD50 | oral | 1384mg/kg (1384mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 47, 1982. | |
| rabbit | LD | skin | > 200mg/kg (200mg/kg) | National Technical Information Service. Vol. OTS0533734, | |
| rat | LC50 | inhalation | 10gm/m3/4H (10000mg/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0533734, |
| rat | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0533585, |
| rat | LD50 | oral | 953mg/kg (953mg/kg) | National Technical Information Service. Vol. OTS0533734, |