6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] supplier

Name
6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine]
EINECS
CAS No. 180160-93-4
Article Data3
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄ClNO
Boiling Point 351.499 °C at 760 mmHg
Molecular Weight 223.69866
Flash Point 166.381 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chlorospiro[1H-isobenzofuran-3,4'-piperidine];
PSA 21.26000
LogP 2.77770

6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] Specification

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

Product Name

6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine]

6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] Specification

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