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9H-Carbazole,9-ethenyl-(CAS No. 1484-13-5)

9H-Carbazole,9-ethenyl- C14H11N (cas 1484-13-5) Molecular Structure

1484-13-5 Structure

Identification and Related Records

【Name】
9H-Carbazole,9-ethenyl-
【CAS Registry number】
1484-13-5
【Synonyms】
Carbazole,9-vinyl- (6CI,8CI)
9-Ethenyl-9H-Carbazole
9-Vinyl-9H-carbazole
9-Vinylcarbazole
N-Ethenylcarbazole
N-Vinylcarbazole
NSC 406868
【EINECS(EC#)】
216-055-0
【Molecular Formula】
C14H11 N (Products with the same molecular formula)
【Molecular Weight】
193.24384
【Inchi】
InChI=1S/C14H11N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h2-10H,1H2
【InChIKey】
KKFHAJHLJHVUDM-UHFFFAOYSA-N
【Canonical SMILES】
C=CN1C2=CC=CC=C2C3=CC=CC=C31
【MOL File】
1484-13-5.mol

Chemical and Physical Properties

【Appearance】
slightly brown crystalline solid
【Density】
1.05 g/cm3
【Melting Point】
60-65 ºC
【Boiling Point】
154-155 ºC (3 mmHg)
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.77
【Flash Point】
152.5 °C
【Water】
Stability Stable. Incompatible with strong acids, strong oxidizing agents. Toxicology Harmful if swallowed or absorbed through the skin. Toxicity data (The mean
【Solubilities】

【Stability】
Stable. Incompatible with strong acids, strong oxidizing agents.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:193.24384 [g/mol]
Molecular Formula:C14H11N
XLogP3-AA:3.9
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:1
Exact Mass:193.089149
MonoIsotopic Mass:193.089149
Topological Polar Surface Area:4.9
Heavy Atom Count:15
Formal Charge:0
Complexity:226
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 Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn;N
【Risk Statements】
R21/22;R38;R43;R50/53;R68
【Safety Statements 】
S22;S23;S36/37;S60;S61
【HazardClass】
6.1(a)
【PackingGroup 】
II
【Transport】
UN 2811

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