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9H-Carbazole, 9-phenyl-(CAS No. 1150-62-5)

9H-Carbazole, 9-phenyl- C8H13N (cas 1150-62-5) Molecular Structure

1150-62-5 Structure

Identification and Related Records

【Name】
9H-Carbazole, 9-phenyl-
【Iupac name】
9-phenylcarbazole
【CAS Registry number】
1150-62-5
【Synonyms】
Carbazole,9-phenyl- (6CI,7CI,8CI)
9-Phenyl-9H-carbazole
N-Phenylcarbazole
NSC 10416
9-phenyl-9H-carbazole
【EINECS(EC#)】
214-564-2
【Molecular Formula】
C8H13N (Products with the same molecular formula)
【Molecular Weight】
243.30
【Inchi】
InChI=1/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
【InChIKey】
VIJYEGDOKCKUOL-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42
【MOL File】
1150-62-5.mol

Chemical and Physical Properties

【Density】
1.11g/cm3
【Melting Point】
95-97 oC
【Boiling Point】
415.3°Cat760mmHg
【Vapour】
4.16E-07mmHg at 25°C
【Refractive Index】
1.643
【Flash Point】
205°C
【Computed Properties】
Molecular Weight:243.30252 [g/mol]
Molecular Formula:C18H13N
XLogP3-AA:5
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:1
Exact Mass:243.104799
MonoIsotopic Mass:243.104799
Topological Polar Surface Area:4.9
Heavy Atom Count:19
Formal Charge:0
Complexity:285
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:4
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R37/38;R41
【Safety Statements 】
26-39
【Safety】

Safety Information of N-Phenylcarbazole (CAS NO.1150-62-5):
Hazard Codes: XiIrritant
Risk Statements: 37/38-41?
37:? Irritating to the respiratory system?
38:? Irritating to the skin?
41:? Risk of serious damage to eyes
Safety Statements: 26-39
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing?
WGK Germany: 3

【Specification】

?N-Phenylcarbazole , its CAS NO. is 1150-62-5, the synonyms are 9-Phenylcarbazole ; EINECS 214-564-2 ; NSC 10416 ; 9H-Carbazole, 9-phenyl- (9CI) ; Carbazole, 9-phenyl- (8CI) .

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