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CAS No.: | 66158-96-1 |
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Name: | 2,3-DIHYDRO-1-BENZOFURAN-2-YLMETHANOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H10O2 |
Molecular Weight: | 150.177 |
Synonyms: | 2,3-Dihydrobenzofuran-2-ylmethanol;2-(Hydroxymethyl)-2,3-dihydro-1-benzofuran; |
Density: | 1.172 g/cm3 |
Boiling Point: | 272.024 °C at 760 mmHg |
Flash Point: | 125.639 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 29.46000 |
LogP: | 0.98240 |
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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