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6-Chloro-4-chromanone

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Name

6-Chloro-4-chromanone

EINECS 253-611-1
CAS No. 37674-72-9 Density 1.345 g/cm3
PSA 26.30000 LogP 2.30520
Solubility N/A Melting Point 97-102 °C(lit.)
Formula C9H7ClO2 Boiling Point 322 °C at 760 mmHg
Molecular Weight 182.606 Flash Point 149.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 22-36/37/38-20/21/22
Molecular Structure Molecular Structure of 37674-72-9 (6-CHLOROCHROMAN-4-ONE) Hazard Symbols HarmfulXn
Synonyms

4-Chromanone,6-chloro- (6CI);6-Chloro-4-chromanone;6-chloro-2,3-dihydro-4H-1-Benzopyran-4-one;NSC 26783;

Article Data 22

6-Chloro-4-chromanone Specification

The 6-Chloro-4-chromanone is an organic compound with the formula C9H7ClO2. The IUPAC name of this chemical is 6-chloro-2,3-dihydrochromen-4-one. With the CAS registry number 37674-72-9, it is also named as . The product's categories are Benzopyrans; BenzopyransHeterocyclic Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. Besides, it should be stored in a closed cool and dry place.

Physical properties about 6-Chloro-4-chromanone are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 98.87; (5)ACD/BCF (pH 7.4): 98.87; (6)ACD/KOC (pH 5.5): 932.53; (7)ACD/KOC (pH 7.4): 932.53; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 45.05 cm3; (12)Molar Volume: 135.7 cm3; (13)Polarizability: 17.86×10-24cm3; (14)Surface Tension: 46.8 dyne/cm; (15)Density: 1.345 g/cm3; (16)Flash Point: 149.7 °C; (17)Enthalpy of Vaporization: 56.39 kJ/mol; (18)Boiling Point: 322 °C at 760 mmHg; (19)Vapour Pressure: 0.000286 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,6-dichlorochromene. This reaction will need solvent ethane-1,2-diol. The reaction time is 4 hours by heating. The yield is about 68%.

Uses of 6-Chloro-4-chromanone: it can be used to produce 3-(6-chloro-4-oxo-chroman-3-ylidenemethyl)-6-methyl-chromen-4-one by heating. It will need reagent Et3N and solvent ethanol with reaction time of 3 hours. The yield is about 79%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1OCCC(=O)c1c2
(2)InChI: InChI=1/C9H7ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
(3)InChIKey: LLTDYHFVIVSQPJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H7ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
(5)Std. InChIKey: LLTDYHFVIVSQPJ-UHFFFAOYSA-N

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