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2H-1-Benzopyran-3-methanol

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Name

2H-1-Benzopyran-3-methanol

EINECS N/A
CAS No. 115822-61-2 Density 1.182 g/cm3
PSA 29.46000 LogP 1.45470
Solubility N/A Melting Point N/A
Formula C10H10O2 Boiling Point 314.3 °C at 760 mmHg
Molecular Weight 162.188 Flash Point 150.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 115822-61-2 (2H-CHROMEN-3-YLMETHANOL) Hazard Symbols N/A
Synonyms

2H-CHROMEN-3-YLMETHANOL;RARECHEM AL BD 1212;2H-chromen-3-ylmethanol, 90+%

Article Data 5

2H-1-Benzopyran-3-methanol Specification

This chemical is called 2H-1-Benzopyran-3-methanol, and its CAS registry number is 115822-61-2. With the molecular formula of C10H10O2, its molecular weight is 162.19.

Other characteristics of the 2H-1-Benzopyran-3-methanol can be summarised as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.59; (6)ACD/BCF (pH 7.4): 59.59; (7)ACD/KOC (pH 5.5): 649.04; (8)ACD/KOC (pH 7.4): 649.04; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 45.86 cm3; (15)Molar Volume: 137.1 cm3; (16)Polarizability: 18.18×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 150.7 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 314.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0002 mmHg at 25°C.

Production method of this chemical: The 2H-1-Benzopyran-3-methanol could be obtained by the reactant of H-chromene-3-carboxylic acid. This reaction needs the reagent of LiAlH4, and the solvent of diethyl ether. The yield is 71 %. In addition, this reaction should be taken for 4 hours.

The 2H-1-Benzopyran-3-methanol could be obtained by the reactant of H-chromene-3-carboxylic acid

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: OCC\1=C\c2c(OC/1)cccc2
2.InChI: InChI=1/C10H10O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,11H,6-7H2
3.InChIKey: UCIFNZYYNUQDAW-UHFFFAOYAI

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