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99-54-7

Basic Information
CAS No.: 99-54-7
Name: 3,4-Dichloronitrobenzene
Article Data: 50
Molecular Structure:
Molecular Structure of 99-54-7 (3,4-Dichloronitrobenzene)
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: HarmfulXn,DangerousN
Risk Codes: 22-36-43-51/53
Safety: 26-36/37-61-39
PSA: 45.82000
LogP: 3.42480
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  • 3,4-Dichloronitrobenzene

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    99-54-7

    3,4-Dichloronitrobenzene

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  • 3,4-Dichloronitrobenzene

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    99-54-7

    3,4-Dichloronitrobenzene

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

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  • 3,4-DICHLORONITROBENZENE

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    99-54-7

    3,4-DICHLORONITROBENZENE

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  • High purity 1,2-Dichloro-4-nitrobenzene

  • Casno:

    99-54-7

    High purity 1,2-Dichloro-4-nitrobenzene

    Min.Order: 1 Kilogram

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  • 1,2-Dichloro-4-nitrobenzene

  • Casno:

    99-54-7

    1,2-Dichloro-4-nitrobenzene

    Min.Order: 0 Metric Ton

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  • 3,4-Dichloronitrobenzene

  • Casno:

    99-54-7

    3,4-Dichloronitrobenzene

    Min.Order: 1000 Kilogram

    FOB Price:  USD $ 0.0-0.0

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Consensus Reports

Reported in EPA TSCA Inventory.

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,