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9-Carboxyfluorene(CAS No. 1989-33-9)

9-Carboxyfluorene C14H10O2 (cas 1989-33-9) Molecular Structure

1989-33-9 Structure

Identification and Related Records

【Name】
9-Carboxyfluorene
【Iupac name】
9H-fluorene-9-carboxylic acid
【CAS Registry number】
1989-33-9
【Synonyms】
Fluorene-9-carboxylicacid (6CI,7CI,8CI)
9H-Fluorene-9-carboxylicacid
NSC 5322
【EINECS(EC#)】
217-866-2
【Molecular Formula】
C14H10O2 (Products with the same molecular formula)
【Molecular Weight】
210.23
【Inchi】
InChI=1/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)
【InChIKey】
DNVJGJUGFFYUPT-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
【MOL File】
1989-33-9.mol

Chemical and Physical Properties

【Appearance】
White crystal powder
【Density】
1.333 g/cm3
【Melting Point】
227-232℃
【Boiling Point】
314.9 °C at 760 mmHg
【Vapour】
0.000192mmHg at 25°C
【Flash Point】
158.4 °C
【Water】
insoluble
【Solubilities】
insoluble in water
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29163900
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:210.228 [g/mol]
Molecular Formula:C14H10O2
XLogP3:2.5
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:210.06808
MonoIsotopic Mass:210.06808
Topological Polar Surface Area:37.3
Heavy Atom Count:16
Formal Charge:0
Complexity:265
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 Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S22;S24/25
【Hazard Note】
Irritant
【Safety】

Safety Information of 9H-Fluorene-9-carboxylic acid (CAS NO.1989-33-9):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin
Safety Statements: 22-24/25-36/37/39-27-26
22:  Do not breathe dust  
24:  Avoid contact with skin 
25:  Avoid contact with eyes 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
27:  Take off immediately all contaminated clothing 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves  
39:  Wear eye/face protection 
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29163900

【Specification】

 9H-Fluorene-9-carboxylic acid , its CAS NO. is 1989-33-9, the synonyms are EINECS 217-866-2 ; Fluorene-9-carboxylic acid ; NSC 5322 .

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