CAS 1150-62-5 9-Phenylcarbazole (HCID 70851)

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Basic information

CAS: 1150-62-5
Standard SMILES: c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIKey: VIJYEGDOKCKUOL-UHFFFAOYSA-N
Molecular formula: C18H13N
Average molar mass: 243.3 g/mol
Monoisotopic mass: 243.10479942

Names & identifiers

Preferred name: 9-Phenylcarbazole
IUPAC: 9-phenylcarbazole
English name: 9-Phenylcarbazole
Molecular formula: C18H13N
Molecular weight: 243.3

Names & synonyms

9-Phenylcarbazole1150-62-5N-Phenylcarbazole9-Phenyl-9H-carbazoleCarbazol, 9-phenylEINECS 214-564-2NSC 10416DTXSID501509289PhenylcarbazoleCarbazole, 9phenyl9HCarbazole, 9phenylRefChem:108185

Show more names

N-PHENYLCARBAZOLE HYDROCHLORIDECFGG9-PhenyLN-Phenylcarbazol9-Phenylcarbazole>

Carbazole, 9phenyl (8CI)9HCarbazole, 9phenyl (9CI)DTXCID4073419214-564-2InChI=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/h1-13VIJYEGDOKCKUOL-UHFFFAOYSA-N9H-Carbazole, 9-phenyl-Carbazole, 9-phenyl-

Database identifiers

CAS: 1150-62-5
PubChem CID: 70851
DTXSID: DTXSID50150928
ChEMBL: CHEMBL1540340
UNII: 4BKV475RBC
EC Number: 214-564-2
Nikkaji: J80.204B

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 285

Experimental & physicochemical properties

PolymersNitrogen Compounds -> Amines, Polyaromatic

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 95 · 95-97 °C(lit.)
Boiling point: 140 °C · 140 °C(Press: 10 Torr)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
color: White to Almost white
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/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

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Carbazole.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29339900
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-39
Storage Class: 13 - Non Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H318-H335-H413
Hazard Classifications: Aquatic Chronic 4Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P280-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications

Uses9-Phenylcarbazole has been used in the electrochemical synthesis of poly(9-phenylcarbazole) films via direct anodic oxidation in mixed electrolytes of boron trifluoride diethyl etherate and sulfuric acid.