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41105-36-6

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Basic Information
CAS No.: 41105-36-6
Name: 2-CHLORO-9,10-BIS(PHENYLETHYNYL)ANTHRACENE
Article Data: 2
Molecular Structure:
Molecular Structure of 41105-36-6 (2-CHLORO-9,10-BIS(PHENYLETHYNYL)ANTHRACENE)
Formula: C30H17Cl
Molecular Weight: 412.91
Synonyms: Anthracene,2-chloro-9,10-bis(phenylethynyl)- (6CI,9CI);2-Chloro-9,10-bis(phenylethynyl)anthracene;9,10-Bis(phenylethynyl)-2-chloroanthracene;CLBPEA;NSC 281967;
Density: 1.29g/cm3
Melting Point: 224-226 °C(lit.)
Boiling Point: 636.6 °C at 760 mmHg
Flash Point: 331.9°C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
PSA: 0.00000
LogP: 7.44600
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Specification

The 2-Chloro-9,10-bis(phenylethynyl)anthracene with the CAS number 41105-36-6 is also called Anthracene,2-chloro-9,10-bis(2-phenylethynyl)-. The IUPAC name is 2-chloro-9,10-bis(2-phenylethynyl)anthracene. Its molecular formula is C30H17Cl. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 10.40; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.757; (8)Molar Refractivity: 130.65 cm3; (9)Molar Volume: 318.4 cm3; (10)Polarizability: 51.79×10-24cm3; (11)Surface Tension: 67 dyne/cm; (12)Enthalpy of Vaporization: 90.62 kJ/mol; (13)Vapour Pressure: 2.07×10-15 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc5ccc4c(C#Cc1ccccc1)c2ccccc2c(C#Cc3ccccc3)c4c5
(2)InChI: InChI=1/C30H17Cl/c31-24-17-20-29-27(18-15-22-9-3-1-4-10-22)25-13-7-8-14-26(25)28(30(29)21-24)19-16-23-11-5-2-6-12-23/h1-14,17,20-21H
(3)InChIKey: YDYTTZZBQVZTPY-UHFFFAOYAF