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