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3,4-Dichloronitrobenzene

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Name

3,4-Dichloronitrobenzene

EINECS 202-764-2
CAS No. 99-54-7 Density 1.533 g/cm3
PSA 45.82000 LogP 3.42480
Solubility water: 151 mg/L (20 °C) Melting Point 39-41 °C(lit.)
Formula C6H3Cl2NO2 Boiling Point 255.5 °C at 760 mmHg
Molecular Weight 192.001 Flash Point 123.9 °C
Transport Information N/A Appearance colourless to yellow crystals or beige powder
Safety 26-36/37-61-39 Risk Codes 22-36-43-51/53
Molecular Structure Molecular Structure of 99-54-7 (3,4-Dichloronitrobenzene) Hazard Symbols HarmfulXn,DangerousN
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;

Article Data 50

3,4-Dichloronitrobenzene Consensus Reports

Reported in EPA TSCA Inventory.

3,4-Dichloronitrobenzene 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.

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,

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