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Phenanthrene, 9-ethynyl-

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Name

Phenanthrene, 9-ethynyl-

EINECS N/A
CAS No. 32870-98-7 Density 1.15 g/cm3
PSA 0.00000 LogP 3.97430
Solubility N/A Melting Point 63-67 °C(lit.)
Formula C16H10 Boiling Point 377.7 °C at 760 mmHg
Molecular Weight 202.255 Flash Point 174 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 41
Molecular Structure Molecular Structure of 32870-98-7 (9-ETHYNYLPHENANTHRENE) Hazard Symbols IrritantXi
Synonyms

9-Ethynylphenanthrene;

Article Data 15

Phenanthrene, 9-ethynyl- Specification

This chemical is called Phenanthrene, 9-ethynyl-, and its systematic name is 9-ethynylphenanthrene. With the molecular formula of C16H10, its molecular weight is 202.25. The CAS registry number of this chemical is 32870-98-7. Additionally, its product categories are Alkynes; Organic Building Blocks; Terminal.   

Other characteristics of the Phenanthrene, 9-ethynyl- can be summarised as followings: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.86; (4)ACD/LogD (pH 7.4): 4.86; (5)ACD/BCF (pH 5.5): 2915.15; (6)ACD/BCF (pH 7.4): 2915.15; (7)ACD/KOC (pH 5.5): 10509.91; (8)ACD/KOC (pH 7.4): 10509.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.713; (13)Molar Refractivity: 68.92 cm3; (14)Molar Volume: 175.7 cm3; (15)Polarizability: 27.32×10-24cm3; (16)Surface Tension: 52.4 dyne/cm; (17)Density: 1.15 g/cm3; (18)Flash Point: 174 °C; (19)Enthalpy of Vaporization: 60.09 kJ/mol; (20)Boiling Point: 377.7 °C at 760 mmHg; (21)Vapour Pressure: 1.44E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical has risk of serious damage to the eyes. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: C#Cc2cc3c(c1c2cccc1)cccc3
2.InChI: InChI=1/C16H10/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h1,3-11H
3.InChIKey: FMKVRRYQWWPOAL-UHFFFAOYAZ

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