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Benzofuran,2,3-dihydro-2-methyl-

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Name

Benzofuran,2,3-dihydro-2-methyl-

EINECS 217-124-8
CAS No. 1746-11-8 Density 1.035 g/cm3
PSA 9.23000 LogP 2.01000
Solubility N/A Melting Point N/A
Formula C9H10O Boiling Point 197.4 °C at 760 mmHg
Molecular Weight 134.178 Flash Point 65.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R22; R41; R20/21/22
Molecular Structure Molecular Structure of 1746-11-8 (2,3-DIHYDRO-2-METHYLBENZOFURAN) Hazard Symbols Xn
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-;

Article Data 81

Benzofuran,2,3-dihydro-2-methyl- 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%.

Benzofuran,2,3-dihydro-2-methyl- can react with propionyl chloride to produce 1-(2-methyl-2,3-dihydro-benzofuran-5-yl)-propan-1-one

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.

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