Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] |
EINECS | N/A |
CAS No. | 180160-93-4 | Density | 1.27 g/cm3 |
PSA | 21.26000 | LogP | 2.77770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14ClNO | Boiling Point | 351.499 °C at 760 mmHg |
Molecular Weight | 223.69866 | Flash Point | 166.381 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Chlorospiro[1H-isobenzofuran-3,4'-piperidine]; |
Article Data | 3 |
The CAS registry number of 6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] is 180160-93-4. This chemical is also named as 5-Chlorospiro[1H-isobenzofuran-3,4'-piperidine]. In addition, its molecular formula is C12H14ClNO and molecular weight is 223.69866. Its IUPAC name is called 5-chlorospiro[1H-2-benzofuran-3,4'-piperidine].
Physical properties about 6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.476; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Index of Refraction: 1.605; (11)Molar Refractivity: 60.672 cm3; (12)Molar Volume: 176.173 cm3; (13)Surface Tension: 48.65 dyne/cm; (14)Density: 1.27 g/cm3; (15)Flash Point: 166.381 °C; (16)Enthalpy of Vaporization: 59.621 kJ/mol; (17)Boiling Point: 351.499 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)C3(CCNCC3)OC2
(2)InChI: InChI=1/C12H14ClNO/c13-10-2-1-9-8-15-12(11(9)7-10)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
(3)InChIKey: CFXXYKNXUHGGRH-UHFFFAOYAT