CAS No.1481-93-2,4-CHROMANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1481-93-2
Name:	4-CHROMANOL
Article Data:	99

Formula:	C₉H₁₀O₂
Molecular Weight:	150.177
Synonyms:	4-Chromanol(6CI,7CI,8CI);3,4-Dihydro-2H-chromen-4-ol;3,4-dihydro-2H-1-benzopyran-4-ol;4-Hydroxy-3,4-dihydro-2H-1-benzopyran;4-Hydroxychroman;
EINECS:	216-041-4
Density:	1.208 g/cm³
Melting Point:	42-44 °C(lit.)
Boiling Point:	266.6 °C at 760 mmHg
Flash Point:	121.8 °C
Appearance:	white crystalline low melting solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-36-26
PSA:	29.46000
LogP:	1.50250

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Specification

The 2H-1-Benzopyran-4-ol,3,4-dihydro-, with the CAS registry number 1481-93-2, is also known as 4-Chromanol. Its EINECS registry number is 216-041-4. This chemical's molecular formula is C₉H₁₀O₂ and molecular weight is 150.1745. Its IUPAC name is called 3,4-dihydro-2H-chromen-4-ol. This chemical is white crystalline low melting solid.

Physical properties of 2H-1-Benzopyran-4-ol,3,4-dihydro-: (1)ACD/LogP: 1.28; (2)ACD/LogD (pH 5.5): 1.28; (3)ACD/LogD (pH 7.4): 1.28; (4)ACD/BCF (pH 5.5): 5.56; (5)ACD/BCF (pH 7.4): 5.56; (6)ACD/KOC (pH 5.5): 118.78; (7)ACD/KOC (pH 7.4): 118.78; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 41.62 cm³; (13)Molar Volume: 124.2 cm³; (14)Surface Tension: 46.6 dyne/cm; (15)Density: 1.208 g/cm³; (16)Flash Point: 121.8 °C; (17)Enthalpy of Vaporization: 53.31 kJ/mol; (18)Boiling Point: 266.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00425 mmHg at 25°C.

Preparation: this chemical can be prepared by chroman-4-one. This reaction will need reagent aq. TiCl₃, aq. NH₃ and solvent methanol. The reaction time is 5 min with reaction temperature of 20 - 25 °C. The yield is about 100%.

Uses of 2H-1-Benzopyran-4-ol,3,4-dihydro-: it can be used to produce 4-benzenesulfonyl-chroman by heating. This reaction will need solvent formic acid with reaction time of 3 hours. The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC2=CC=CC=C2C1O
(2)InChI: InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2
(3)InChIKey: MGSHXMOLUWTMGP-UHFFFAOYSA-N