Anthracene, 2-(1,1-dimethylethyl)- supplier

Name
2-(TERT-BUTYL)ANTHRACENE
EINECS 242-588-3
CAS No. 18801-00-8
Article Data7
CAS DataBase
Density 1.044 g/cm³
Solubility
Melting Point 146-148 °C(lit.)
Formula C₁₈H₁₈
Boiling Point 376.4 °C at 760 mmHg
Molecular Weight 234.341
Flash Point 174.7 °C
Transport Information
Appearance light yellow powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anthracene,2-tert-butyl- (6CI,7CI,8CI);2-(1,1-Dimethylethyl)anthracene;2-tert-Butylanthracene;
PSA 0.00000
LogP 5.29050

Anthracene, 2-(1,1-dimethylethyl)- Specification

This chemical is called Anthracene, 2-(1,1-dimethylethyl)-, and its IUPAC name is 2-tert-butylanthracene. With the molecular formula of C₁₈H₁₈, its molecular weight is 234.34. The CAS registry number of this chemical is 18801-00-8. Additionally, its product categories are Arenes; Building Blocks; Organic Building Blocks. Avoid contacting with skin and eyes if you use it.

Other characteristics of the Anthracene, 2-(1,1-dimethylethyl)- can be summarised as followings: (1)ACD/LogP: 6.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.37; (4)ACD/LogD (pH 7.4): 6.37; (5)ACD/BCF (pH 5.5): 40708.35; (6)ACD/BCF (pH 7.4): 40708.35; (7)ACD/KOC (pH 5.5): 69373.66; (8)ACD/KOC (pH 7.4): 69373.66; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 80.32 cm³; (15)Molar Volume: 224.3 cm³; (16)Polarizability: 31.84×10^-24cm³; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.044 g/cm³; (19)Flash Point: 174.7 °C; (20)Enthalpy of Vaporization: 59.96 kJ/mol; (21)Boiling Point: 376.4 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c3ccc2cc1ccc(cc1cc2c3)C(C)(C)C
2.InChI: InChI=1/C18H18/c1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12H,1-3H3
3.InChIKey: WBPXZSIKOVBSAS-UHFFFAOYAN

Product Name

2-(TERT-BUTYL)ANTHRACENE

Anthracene, 2-(1,1-dimethylethyl)- Specification

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