Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloromethyl-7-hydroxychromen-2-one |
EINECS | N/A |
CAS No. | 25392-41-0 | Density | 1.442 g/cm3 |
PSA | 50.44000 | LogP | 2.23740 |
Solubility | N/A | Melting Point |
180-183°C |
Formula | C10H7ClO3 | Boiling Point | 409.6 °C at 760 mmHg |
Molecular Weight | 210.617 | Flash Point | 201.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Coumarin,4-(chloromethyl)-7-hydroxy- (8CI);4-(Chloromethyl)-7-hydroxycoumarin;4-Chloromethyl-7-hydroxy-2H-chromen-2-one;7-Hydroxy-4-(chloromethyl)coumarin; |
Article Data | 93 |
The 4-Chloromethyl-7-hydroxychromen-2-one, with the CAS registry number 25392-41-0, has the systematic name of 4-(chloromethyl)-7-hydroxy-2H-chromen-2-one. It is a kind of irritant chemical, so you'd better be cautious while dealing with it. And the molecular formula of the chemical is C10H7ClO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 51.18 cm3; (9)Molar Volume: 145.9 cm3; (10)Polarizability: 20.29×10-24cm3; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.442 g/cm3; (13)Flash Point: 201.5 °C; (14)Enthalpy of Vaporization: 68.75 kJ/mol; (15)Boiling Point: 409.6 °C at 760 mmHg; (16)Vapour Pressure: 2.72E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCC=1c2c(OC(=O)C=1)cc(O)cc2
(2)InChI: InChI=1/C10H7ClO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2
(3)InChIKey: TXSLBPGPBNGHRW-UHFFFAOYAV