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69383-59-1

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Basic Information
CAS No.: 69383-59-1
Name: 1-BROMO-2,4-DIMETHYL-5-NITROBENZENE
Molecular Structure:
Molecular Structure of 69383-59-1 (1-BROMO-2,4-DIMETHYL-5-NITROBENZENE)
Formula: C8H8 Br N O2
Molecular Weight: 230.061
Synonyms: 4-Bromo-6-nitro-m-xylene
Density: 1.534g/cm3
Melting Point: 54-56°C
Boiling Point: 293.641°C at 760 mmHg
Flash Point: 131.389°C
Solubility: Slightly soluble in water.
Risk Codes: R20/21/22
PSA: 45.82000
LogP: 3.49730
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  • 1-Bromo-2,4-dimethyl-5-nitrobenzene

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    69383-59-1

    1-Bromo-2,4-dimethyl-5-nitrobenzene

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Chemistry

Molecular Structure of 5-Bromo-2,4-dimethylnitrobenzene (CAS No.69383-59-1):

Molecular Formula: C8H8BrNO2
Molecular Weight: 230.05862
IUPAC Name: 1-Bromo-2,4-dimethyl-5-nitrobenzene
CAS No: 69383-59-1
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 45.82 Å2
Index of Refraction: 1.583
Molar Refractivity: 50.138 cm3
Molar Volume: 150.01 cm3
Surface Tension: 45.006 dyne/cm
Density: 1.534 g/cm3
Flash Point: 131.389 °C
Melting Point: 54-56°C
Enthalpy of Vaporization: 51.187 kJ/mol
Boiling Point: 293.641 °C at 760 mmHg
Vapour Pressure: 0.003 mmHg at 25°C
Product Categories: Aromatic Hydrocarbons (substituted) Derivatives
Canonical SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])Br)C
InChI: InChI=1S/C8H8BrNO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
InChIKey: HYYJANCKMGXHLQ-UHFFFAOYSA-N

Safety Profile

Safety Information of 5-Bromo-2,4-dimethylnitrobenzene (CAS No.69383-59-1):
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 24/25-36/37/39
S24/25:Avoid contact with skin and eyes. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

   5-Bromo-2,4-dimethylnitrobenzene (CAS No.69383-59-1), it also can be called 4-Bromo-6-nitro-m-xylene ; 1-Bromo-2,4-dimethyl-5-nitrobenzene .