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9H-Fluorene,9,9-dimethyl-(CAS No. 4569-45-3)

9H-Fluorene,9,9-dimethyl- C15H14 (cas 4569-45-3) Molecular Structure

4569-45-3 Structure

Identification and Related Records

【Name】
9H-Fluorene,9,9-dimethyl-
【Iupac name】
9,9-dimethylfluorene
【CAS Registry number】
4569-45-3
【Synonyms】
Fluorene,9,9-dimethyl- (6CI,7CI,8CI)
9,9-Dimethylfluorene
【Molecular Formula】
C15H14 (Products with the same molecular formula)
【Molecular Weight】
194.27
【Inchi】
InChI=1/C15H14/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,1-2H3
【InChIKey】
ZHQNDEHZACHHTA-UHFFFAOYSA-N
【Canonical SMILES】
CC1(C2=CC=CC=C2C3=CC=CC=C31)C
【MOL File】
4569-45-3.mol

Chemical and Physical Properties

【Appearance】
Light yellow to white crystal powder
【Density】
1.04 g/cm3
【Melting Point】
96°C
【Boiling Point】
300.8 °C at 760 mmHg
【Refractive Index】
1.591
【Flash Point】
138.7 °C
【Computed Properties】
Molecular Weight:194.27166 [g/mol]
Molecular Formula:C15H14
XLogP3-AA:4.4
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:194.10955
MonoIsotopic Mass:194.10955
Topological Polar Surface Area:0
Heavy Atom Count:15
Formal Charge:0
Complexity:216
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:0.2
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Risk Statements】
R20/21/22
【Safety Statements 】
26-37/39
【Safety】

Safety Information of 9H-Fluorene, 9,9-dimethyl- (CAS NO.4569-45-3):
Risk Statements: 20/21/22-36/37/38 
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin
Safety Statements: 26-37/39
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
37:  Wear suitable gloves  
39:  Wear eye/face protection

【Specification】

 9H-Fluorene, 9,9-dimethyl- , its CAS NO. is 4569-45-3, the synonym is 9,9-Dimethyl-9H-fluorene .

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