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

Name
2,3-DIHYDRO-2-METHYLBENZOFURAN
EINECS 217-124-8
CAS No. 1746-11-8
Article Data81
CAS DataBase
Density 1.035 g/cm³
Solubility
Melting Point
Formula C₉H₁₀O
Boiling Point 197.4 °C at 760 mmHg
Molecular Weight 134.178
Flash Point 65.2 °C
Transport Information
Appearance
Safety
Risk Codes R22; R41; R20/21/22
Molecular Structure
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-;
PSA 9.23000
LogP 2.01000

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.

Product Name

2,3-DIHYDRO-2-METHYLBENZOFURAN

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

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