2-Pyrenemethanol,2-(hydrogen sulfate) supplier

Name
pyren-2-ylmethyl hydrogen sulfate
EINECS
CAS No. 132769-77-8
Density 1.537 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₂O₄S
Boiling Point
Molecular Weight 312.3398
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrenemethanol,hydrogen sulfate (9CI);pyren-2-ylmethyl hydrogen sulfate;pyrenemethanol, hydrogen sulfate;
PSA
LogP

2-Pyrenemethanol,2-(hydrogen sulfate) Specification

The 2-Pyrenemethanol,2-(hydrogen sulfate), with the CAS registry number 132769-77-8, has the systematic name and IUPAC name of pyren-2-ylmethyl hydrogen sulfate. And the molecular formula of this chemical is C₁₇H₁₂O₄S. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 2-Pyrenemethanol,2-(hydrogen sulfate) are as following: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.6; (8)ACD/KOC (pH 7.4): 1.6; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 60.98 Å²; (13)Index of Refraction: 1.819; (14)Molar Refractivity: 88.39 cm³; (15)Molar Volume: 203.1 cm³; (16)Polarizability: 35.04×10^-24cm³; (17)Surface Tension: 79.1 dyne/cm; (18)Density: 1.537 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)OCc3cc2ccc1cccc4c1c2c(c3)cc4
(2)InChI: InChI=1/C17H12O4S/c18-22(19,20)21-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13/h1-9H,10H2,(H,18,19,20)
(3)InChIKey: BXQLMAIEVDQAEP-UHFFFAOYAN

Product Name

pyren-2-ylmethyl hydrogen sulfate

2-Pyrenemethanol,2-(hydrogen sulfate) Specification

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