CAS 16096-33-6 1-Phenyl-1H-indole (HCID 182029)

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Basic information

CAS: 16096-33-6
Standard SMILES: c1ccc(-n2ccc3ccccc32)cc1
InChIKey: YBFCBQMICVOSRW-UHFFFAOYSA-N
Molecular formula: C14H11N
Average molar mass: 193.24 g/mol
Monoisotopic mass: 193.08914935

Names & identifiers

Preferred name: 1-Phenyl-1H-indole
IUPAC: 1-phenylindole
English name: 1-PHENYL-1H-INDOLE
Molecular formula: C14H11N
Molecular weight: 193.24

Names & synonyms

1-Phenyl-1H-indole16096-33-61-phenylindoleN-phenylindole1H-Indole, 1-phenyl-NCW9WE9Z9VRefChem:435531833-862-931096-91-01H-Indole, phenyl-MFCD00123280phenylindol

Show more names

1-Pheny-1H-lindole

DTXSID80185041AKOS006271861CS-W006833DS-2622SY1141671-PhenylbenziIndole, phenyl-1H-Indole,1-phenyl-

Database identifiers

CAS: 16096-33-6、31096-91-0
PubChem CID: 182029
DTXSID: DTXSID80185041
ChEMBL: CHEMBL149746
UNII: NCW9WE9Z9V
EC Number: 833-862-9
Nikkaji: J654.105D

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 207

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 60 · 60-62℃
Boiling point: 190 °C/20mmHg · 190°C/20mmHg(lit.)
Density: 1.05 · 1.05±0.1 g/cm3 (20 ºC 760 Torr)
refractive index: 1.658 to · 1.6580 to 1.6620
storage temp.: Store at room temperature
form: clear liquid
color: Colorless to Yellow to Orange
InChI: InChI=1S/C14H11N/c1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15/h1-11H
InChIKey: YBFCBQMICVOSRW-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)C2=C(C=CC=C2)C=C1
FDA UNII: 9 WE9Z9V · NCW9WE9Z9V
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933.99.8290
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362