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CAS No.: | 1798-85-2 |
---|---|
Name: | 1-Bromo-3-cyclopropylbenzene |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H9Br |
Molecular Weight: | 197.074 |
Synonyms: | 1-Bromo-3-cyclopropylbenzene;3-Bromo-1-(cyclopropyl)benzene;m-Bromocyclopropylbenzene;m-Bromophenylcyclopropane; |
Density: | 1.475 g/cm3 |
Boiling Point: | 230.02 °C at 760 mmHg |
Flash Point: | 95.513 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 0.00000 |
LogP: | 3.32650 |
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The 1-Bromo-3-cyclopropylbenzene is an organic compound with the formula C9H9Br. The systematic name of this chemical is 1-bromo-3-cyclopropylbenzene. With the CAS registry number 1798-85-2, it is also named as 3-bromo-1-cyclopropylbenzene. The product's categories are Halides; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het.
Physical properties about 1-Bromo-3-cyclopropylbenzene are: (1)ACD/LogP: 4.04; (2)ACD/LogD (pH 5.5): 4.04; (3)ACD/LogD (pH 7.4): 4.04; (4)ACD/BCF (pH 5.5): 694.55; (5)ACD/BCF (pH 7.4): 694.55; (6)ACD/KOC (pH 5.5): 3764.37; (7)ACD/KOC (pH 7.4): 3764.37; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.604; (10)Molar Refractivity: 45.96 cm3; (11)Molar Volume: 133.6 cm3; (12)Polarizability: 18.22×10-24cm3; (13)Surface Tension: 43.9 dyne/cm; (14)Density: 1.474 g/cm3; (15)Flash Point: 95.5 °C; (16)Enthalpy of Vaporization: 44.77 kJ/mol; (17)Boiling Point: 230 °C at 760 mmHg; (18)Vapour Pressure: 0.102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1)C2CC2
(2)InChI: InChI=1/C9H9Br/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
(3)InChIKey: BCBNVQYWODLZSI-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H9Br/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
(5)Std. InChIKey: BCBNVQYWODLZSI-UHFFFAOYSA-N