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| CAS No.: | 873-49-4 |
|---|---|
| Name: | CYCLOPROPYLBENZENE |
| Article Data: | 150 |
| Molecular Structure: | |
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| Formula: | C9H10 |
| Molecular Weight: | 118.178 |
| Synonyms: | 1-Phenylcyclopropane;Cyclopropane, phenyl-;Cyclopropylbenzene;NSC 3018;Phenylcyclopropane; |
| EINECS: | 212-839-1 |
| Density: | 1.006 g/cm3 |
| Melting Point: | -31°C |
| Boiling Point: | 175.3 °C at 760 mmHg |
| Flash Point: | 43.9 °C |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3295 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.56400 |
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Specification
The CAS register number of Cyclopropylbenzene is 873-49-4. It also can be called as Phenylcyclopropane and the IUPAC name about this chemical is cyclopropylbenzene. The molecular formula about this chemical is C9H10 and the molecular weight is 118.18. This chemical is flammable. When you are using it, please keep away from sources of ignition.
Physical properties about Cyclopropylbenzene are: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.27; (3)ACD/LogD (pH 7.4): 3.27; (4)ACD/BCF (pH 5.5): 179.97; (5)ACD/BCF (pH 7.4): 179.97; (6)ACD/KOC (pH 5.5): 1431.79; (7)ACD/KOC (pH 7.4): 1431.79 ; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 38.27 cm3; (11)Molar Volume: 117.4 cm3; (12)Polarizability: 15.17x10-24cm3; (13)Surface Tension: 39 dyne/cm; (14)Enthalpy of Vaporization: 39.47 kJ/mol; (15)Boiling Point: 175.3 °C at 760 mmHg; (16)Vapour Pressure: 1.55 mmHg at 25°C.
Preparation: this chemical can be prepared by (2,2-dichloro-cyclopropyl)-benzene. This reaction will need reagent sodium, water containing methanol.
Uses of Cyclopropylbenzene: it can be used to produce (1,3-dibromo-propyl)-benzene. This reaction will need reagent glacial acetic acid, bromine.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1C2CC2
(2)InChI: InChI=1/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
(3)InChIKey: VFSFCYAQBIPUSL-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
(5)Std. InChIKey: VFSFCYAQBIPUSL-UHFFFAOYSA-N