6-Chloro-1,2-benzisoxazol-3-ol supplier

Name
6-CHLOROBENZO[D]ISOXAZOL-3-OL
EINECS
CAS No. 61977-29-5
Article Data9
CAS DataBase
Density 1.486 g/cm³
Solubility
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
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;
PSA 46.26000
LogP 2.18680

6-Chloro-1,2-benzisoxazol-3-ol Specification

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

Product Name

6-CHLOROBENZO[D]ISOXAZOL-3-OL

6-Chloro-1,2-benzisoxazol-3-ol Specification

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