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| CAS No.: | 1746-11-8 |
|---|---|
| Name: | 2,3-DIHYDRO-2-METHYLBENZOFURAN |
| Article Data: | 81 |
| Molecular Structure: | |
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| Formula: | C9H10O |
| Molecular Weight: | 134.178 |
| Synonyms: | 2,3-Dihydro-2-methylbenzo[b]furan;2,3-Dihydro-2-methylbenzofuran;2-Methyl-2,3-dihydro-1-benzo[b]furan;2-Methyl-2,3-dihydrobenzofuran;2-Methylcoumaran;NSC 403556;2-methyl-2,3-dihydrobenzofuran;2-Methyl-2,3-dihydro-1-benzofuran;benzofuran, 2,3-dihydro-2-methyl-; |
| EINECS: | 217-124-8 |
| Density: | 1.035 g/cm3 |
| Boiling Point: | 197.4 °C at 760 mmHg |
| Flash Point: | 65.2 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R22; R41; R20/21/22 |
| PSA: | 9.23000 |
| LogP: | 2.01000 |
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Specification
The Benzofuran,2,3-dihydro-2-methyl-, with the CAS registry number 1746-11-8 and EINECS registry number 217-124-8, has the systematic name and IUPAC name of 2-methyl-2,3-dihydrobenzofuran. And the molecular formula of the chemical is C9H10O.
The characteristics of Benzofuran,2,3-dihydro-2-methyl- are as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.531; (10)Molar Refractivity: 40.12 cm3; (11)Molar Volume: 129.5 cm3; (12)Polarizability: 15.9×10-24cm3; (13)Surface Tension: 36 dyne/cm; (14)Density: 1.035 g/cm3; (15)Flash Point: 65.2 °C; (16)Enthalpy of Vaporization: 41.59 kJ/mol; (17)Boiling Point: 197.4 °C at 760 mmHg; (18)Vapour Pressure: 0.533 mmHg at 25°C.
Uses of Benzofuran,2,3-dihydro-2-methyl-: It can react with propionyl chloride to produce 1-(2-methyl-2,3-dihydro-benzofuran-5-yl)-propan-1-one. This reaction will need reagent AlCl3, and the menstruum CH2Cl2. The reaction time is 1 hour with temperature of 20°C, and the yield is about 70%.
You can still convert the following datas into molecular structure:(1)SMILES: CC1Cc2ccccc2O1
(2)InChI: InChI=1/C9H10O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3
(3)InChIKey: BWCJVGMZEQDOMY-UHFFFAOYAG
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 145, 1954. |