7-Chlorochroman-4-one supplier

Name
7-Chloro-4-chromanone
EINECS 1312995-182-4
CAS No. 18385-72-3
Article Data9
CAS DataBase
Density 1.345 g/cm³
Solubility
Melting Point 65-67℃
Formula C₉H₇ClO₂
Boiling Point 322 °C at 760 mmHg
Molecular Weight 182.60368
Flash Point 149.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Chloro-4-chromanone;
PSA 26.30000
LogP 2.30520

7-Chlorochroman-4-one Specification

The 7-Chlorochroman-4-one, with the CAS registry number of 18385-72-3, is also known as 7-Chloro-4-chromanone. Its molecular formula is C₉H₇ClO₂ and molecular weight is 182.60368. What's more, its systematic name is 7-Chloro-2,3-dihydro-4H-chromen-4-one.

Physical properties about the 7-Chlorochroman-4-one are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.57; (6)ACD/BCF (pH 7.4): 95.57; (7)ACD/KOC (pH 5.5): 910.17; (8)ACD/KOC (pH 7.4): 910.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 45.05 cm³; (15)Molar Volume: 135.7 cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.345 g/cm³; (18)Flash Point: 149.7 °C; (19)Enthalpy of Vaporization: 56.39 kJ/mol; (20)Boiling Point: 322 °C at 760 mmHg; (21)Vapour Pressure: 0.000286 mmHg at 25 °C.

Preparation: this chemical can be obtained by C₁₁H₁₄ClNO₂*ClH. The reaction needs reagent KOH and solvent H₂O. The reaction time is 15 min with reaction temperature of 35 °C. The yield is about 35 %.

The 7-Chlorochroman-4-one can be obtained by C11H14ClNO2*ClH

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2c(c1)OCCC2=O
(2) InChI: InChI=1/C9H7ClO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2
(3) InChIKey: YBCBUDKINFJWHE-UHFFFAOYAW

Product Name

7-Chloro-4-chromanone

7-Chlorochroman-4-one Specification

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