CAS No.36238-83-2,7-METHYLBENZO[D]ISOXAZOL-3-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36238-83-2
Name:	7-METHYLBENZO[D]ISOXAZOL-3-OL
Article Data:	4

Formula:	C₈H₇NO₂
Molecular Weight:	149.149
Synonyms:	1,2-Benzisoxazol-3-ol,7-methyl- (7CI);7-Methylbenzo[d]isoxazole-3-one;
Density:	1.259 g/cm³
Melting Point:	155 °C
Boiling Point:	310.9 °C at 760 mmHg
Flash Point:	141.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	46.26000
LogP:	1.84180

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Specification

This chemical is called 1,2-Benzisoxazol-3(2H)-one,7-methyl-, and its systematic name is 7-methyl-1,2-benzisoxazol-3(2H)-one. With the molecular formula of C₈H₇NO₂, its molecular weight is 149.15. The CAS registry number of this chemical is 36238-83-2.

Other characteristics of the 1,2-Benzisoxazol-3(2H)-one,7-methyl- can be summarised as followings: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 15.95; (6)ACD/BCF (pH 7.4): 15.95; (7)ACD/KOC (pH 5.5): 252.68; (8)ACD/KOC (pH 7.4): 252.68; (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: 1.574; (14)Molar Refractivity: 39.11 cm³; (15)Molar Volume: 118.3 cm³; (16)Polarizability: 15.5×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.259 g/cm³; (19)Flash Point: 141.8 °C; (20)Enthalpy of Vaporization: 57.38 kJ/mol; (21)Boiling Point: 310.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000319 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1c2cccc(c2ON1)C
2.InChI: InChI=1/C8H7NO2/c1-5-3-2-4-6-7(5)11-9-8(6)10/h2-4H,1H3,(H,9,10)
3.InChIKey: JUNCQBPTXAQOSA-UHFFFAOYAL