Benzene,2-bromo-1-(1-methylethyl)-4-nitro- supplier

Name
2-BROMO-1-ISOPROPYL-4-NITROBENZENE
EINECS
CAS No. 101980-41-0
Density 1.456 g/cm³
Solubility
Melting Point
Formula C₉H₁₀BrNO₂
Boiling Point 294.3 °C at 760 mmHg
Molecular Weight 244.088
Flash Point 131.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cumene,2-bromo-4-nitro- (6CI);1-Bromo-2-isopropyl-5-nitrobenzene;2-Bromo-4-nitro-1-isopropylbenzene;
PSA 45.82000
LogP 4.00390

Benzene,2-bromo-1-(1-methylethyl)-4-nitro- Specification

The Benzene, 2-bromo-1-(1-methylethyl)-4-nitro-, with the CAS registry number 101980-41-0, is also known as 2-Bromo-4-nitro-1-isopropylbenzene. This chemical's molecular formula is C₉H₁₀BrNO₂ and molecular weight is 244.0852. What's more, its systematic name is 2-Bromo-1-(1-methylethyl)-4-nitrobenzene.

Physical properties about Benzene, 2-bromo-1-(1-methylethyl)-4-nitro- are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 507.71; (6)ACD/BCF (pH 7.4): 507.71; (7)ACD/KOC (pH 5.5): 3008.02; (8)ACD/KOC (pH 7.4): 3008.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 54.67 cm³; (15)Molar Volume: 167.5 cm³; (16)Polarizability: 21.67×10^-24 cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.456 g/cm³; (19)Flash Point: 131.8 °C; (20)Enthalpy of Vaporization: 51.25 kJ/mol; (21)Boiling Point: 294.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00288 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)c1ccc(cc1Br)N(=O)=O
(2) InChI: InChI=1/C9H10BrNO2/c1-6(2)8-4-3-7(11(12)13)5-9(8)10/h3-6H,1-2H3
(3) InChIKey: QMWKRZOLOPHTIM-UHFFFAOYAT

Product Name

2-BROMO-1-ISOPROPYL-4-NITROBENZENE

Benzene,2-bromo-1-(1-methylethyl)-4-nitro- Specification

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