3-Bromomethyl-1,2-benzisoxazole supplier

Name
3-(BROMOMETHYL)-1,2-BENZISOXAZOLE
EINECS
CAS No. 37924-85-9
Article Data10
CAS DataBase
Density 1.642 g/cm³
Solubility
Melting Point 64-65 °C
Formula C₈H₆BrNO
Boiling Point 302.5 °C at 760 mmHg
Molecular Weight 212.046
Flash Point 136.8 °C
Transport Information
Appearance colourless crystalline solid
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 3-(Bromomethyl)-1,2-benzisoxazole;3-Bromomethylbenzisoxazole;3-Bromomethylbenzo[d]isoxazole;
PSA 26.03000
LogP 2.72270

3-Bromomethyl-1,2-benzisoxazole Specification

The systematic name of 3-Bromomethyl-1,2-benzisoxazole is 3-(bromomethyl)-1,2-benzisoxazole. With the CAS registry number 37924-85-9, it is also named as 3-Bromomethyl-benzo[d]isoxazole. The product's categories are Aromatics Compounds; Aromatics. It is colourless crystalline solid. In addition, its molecular formula is C₈H₆BrNO and its molecular weight is 212.04.

The other characteristics of 3-Bromomethyl-1,2-benzisoxazole can be summarized as: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.03 Å²; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 47.13 cm³; (9)Molar Volume: 129 cm³; (10)Polarizability: 18.68×10^-24cm³; (11)Surface Tension: 52.9 dyne/cm; (12)Density: 1.642 g/cm³; (13)Flash Point: 136.8 °C; (14)Melting Point: 64-65 °C; (15)Enthalpy of Vaporization: 52.11 kJ/mol; (16)Boiling Point: 302.5 °C at 760 mmHg; (17)Vapour Pressure: 0.00176 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: BrCc2noc1ccccc12
(2)InChI: InChI=1/C8H6BrNO/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2
(3)InChIKey: MAIKTETULSZRED-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6BrNO/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2
(5)Std. InChIKey: MAIKTETULSZRED-UHFFFAOYSA-N

Product Name

3-(BROMOMETHYL)-1,2-BENZISOXAZOLE

3-Bromomethyl-1,2-benzisoxazole Specification

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