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2-Benzofuranmethanol,2,3-dihydro-

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Name

2-Benzofuranmethanol,2,3-dihydro-

EINECS N/A
CAS No. 66158-96-1 Density 1.172 g/cm3
PSA 29.46000 LogP 0.98240
Solubility N/A Melting Point N/A
Formula C9H10O2 Boiling Point 272.024 °C at 760 mmHg
Molecular Weight 150.177 Flash Point 125.639 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 66158-96-1 (2,3-DIHYDRO-1-BENZOFURAN-2-YLMETHANOL) Hazard Symbols IrritantXi
Synonyms

2,3-Dihydrobenzofuran-2-ylmethanol;2-(Hydroxymethyl)-2,3-dihydro-1-benzofuran;

Article Data 2

2-Benzofuranmethanol,2,3-dihydro- Specification

The IUPAC name of 2-Benzofuranmethanol,2,3-dihydro- is 2,3-dihydro-1-benzofuran-2-ylmethanol. With the CAS registry number 66158-96-1, it is also named as 2-(Hydroxymethyl)-2,3-dihydro-1-benzofuran. In addition, its molecular formula is C9H10O2 and its molecular weight is 150.17.

The other characteristics of 2-Benzofuranmethanol,2,3-dihydro- can be summarized as: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.792; (4)ACD/LogD (pH 7.4): 1.792; (5)ACD/BCF (pH 5.5): 13.547; (6)ACD/BCF (pH 7.4): 13.547; (7)ACD/KOC (pH 5.5): 224.798; (8)ACD/KOC (pH 7.4): 224.798; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 41.649 cm3; (15)Molar Volume: 128.139 cm3; (16)Polarizability: 16.511×10-24cm3; (17)Surface Tension: 49.058 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 125.639 °C; (20)Enthalpy of Vaporization: 53.905 kJ/mol; (21)Boiling Point: 272.024 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc2c(c1)CC(O2)CO
(2)InChI: InChI=1/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,10H,5-6H2
(3)InChIKey: ITMGMSZDAOAVNO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,10H,5-6H2
(5)Std. InChIKey: ITMGMSZDAOAVNO-UHFFFAOYSA-N

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