Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Chloro-1,2-benzisoxazol-3-ol |
EINECS | N/A |
CAS No. | 61977-29-5 | Density | 1.486 g/cm3 |
PSA | 46.26000 | LogP | 2.18680 |
Solubility | N/A | Melting Point |
218-220 °C |
Formula | C7H4ClNO2 | Boiling Point | 336.7 °C at 760 mmHg |
Molecular Weight | 169.57 | Flash Point | 157.4 °C |
Transport Information | N/A | Appearance | gray solid |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1,2-Benzisoxazol-3-ol,6-chloro- (7CI);6-Chloro-3-hydroxy-1,2-benzisoxazole;6-Chloro-3-hydroxybenzisoxazole;6-Chlorobenzo[d]isoxazol-3-ol;6-Chlorobenzo[d]isoxazol-3-one; |
Article Data | 9 |
This chemical is called 1,2-Benzisoxazol-3(2H)-one, 6-chloro-, and its systematic name is 6-chloro-1,2-benzisoxazol-3(2H)-one. With the molecular formula of C7H4ClNO2, its molecular weight is 169.57. The CAS registry number of this chemical is 61977-29-5.
Other characteristics of the 1,2-Benzisoxazol-3(2H)-one, 6-chloro- can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.5; (6)ACD/BCF (pH 7.4): 25.5; (7)ACD/KOC (pH 5.5): 353.48; (8)ACD/KOC (pH 7.4): 353.48; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 39.18 cm3; (15)Molar Volume: 114 cm3; (16)Polarizability: 15.53×10-24cm3; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.486 g/cm3; (19)Flash Point: 157.4 °C; (20)Enthalpy of Vaporization: 60.28 kJ/mol; (21)Boiling Point: 336.7 °C at 760 mmHg; (22)Vapour Pressure: 5.65E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc1c(ONC1=O)c2
2.InChI: InChI=1/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
3.InChIKey: SJAPSPJRTQCDNO-UHFFFAOYAV