CAS No.60956-26-5,4-Bromo-2-nitrotoluene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	60956-26-5
Name:	4-Bromo-2-nitrotoluene
Article Data:	30

Formula:	C₇H₆BrNO₂
Molecular Weight:	216.034
Synonyms:	Toluene,4-bromo-2-nitro- (7CI);1-Bromo-4-methyl-3-nitrobenzene;1-Methyl-2-nitro-4-bromobenzene;2-Nitro-4-bromotoluene;4-Bromo-1-methyl-2-nitrobenzene;
EINECS:	262-536-3
Density:	1.615 g/cm³
Melting Point:	45-48 °C(lit.)
Boiling Point:	256.5 °C at 760 mmHg
Flash Point:	112.7 °C
Solubility:	Insoluble in water
Appearance:	Yellow to light orange crystals or cryst. powder
Hazard Symbols:	Xi, Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36-36/37/39-22
PSA:	45.82000
LogP:	3.18890

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Specification

The 4-Bromo-2-nitrotoluene, with its CAS registry number 60956-26-5, has the systematic name of 4-bromo-1-methyl-2-nitrobenzene. This chemical is usually used as intermediate for medicine, with the product categories including Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds; Trifluoro-methoxy-benzene series.

The physical properties of this chemical are as below: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 109.09; (6)ACD/BCF (pH 7.4): 109.09; (7)ACD/KOC (pH 5.5): 1000.56; (8)ACD/KOC (pH 7.4): 1000.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 45.31 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 17.96×10^-24 cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.615 g/cm³; (19)Flash Point: 112.7 °C; (20)Enthalpy of Vaporization: 47.41 kJ/mol; (21)Boiling Point: 256.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0246 mmHg at 25°C; (23)Exact Mass: 214.958191; (24)MonoIsotopic Mass: 214.958191; (25)Topological Polar Surface Area: 45.8; (26)Heavy Atom Count: 11; (27)Complexity: 157.

Use of this chemical: 4-Bromo-2-nitrotoluene could react to produce 5-bromo-2-methyl-aniline. This reaction happens in the presence of the reagent of tin and hydrochloric acid.

Production method of this chemical: 4-methyl-3-nitro-aniline could react to produce 4-Bromo-2-nitrotoluene. This reaction could happen in the condition of Diazotization.Erwaermen des Diazoniumperbromids mit Alkohol.

When you are dealing with this chemical, you should be very careful. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. For another thing, it is harmful which may cause damage to health. And it will be dangerous if by inhalation, in contact with skin and if swallowed. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H6BrNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
(3)InChIKey: KZNXALJXBRSMFL-UHFFFAOYSA-N