CAS 1961-96-2 1-Phenyl-1H-indene (HCID 519674)

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Basic information

CAS: 1961-96-2
Standard SMILES: C1=CC(c2ccccc2)c2ccccc21
InChIKey: PXORBAGTGTXORO-UHFFFAOYSA-N
Molecular formula: C15H12
Average molar mass: 192.25 g/mol
Monoisotopic mass: 192.09390038

Names & identifiers

Preferred name: 1-Phenyl-1H-indene
IUPAC: 1-phenyl-1H-indene
English name: 1-PHENYL-1H-INDENE
Molecular formula: C15H12
Molecular weight: 192.26

Names & synonyms

1-Phenyl-1H-indene1961-96-2DTXSID80941381RefChem:1056288DTXCID0013698191H-Indene, 1-phenyl-1-phenylindeneMFCD00597812phenylindene1-phenyl-indene1-Phenyl-1H-indene #SCHEMBL217272

Show more names

1H-indene,1-phenyl-

SCHEMBL1028465SCHEMBL1028466SCHEMBL27461160SCHEMBL27760151AKOS006271397

Database identifiers

CAS: 1961-96-2
PubChem CID: 519674
DTXSID: DTXSID80941381
Nikkaji: J142.895K

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 234

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 37.5 °C · 37.5°C
Boiling point: 319 ℃ · 319℃
Density: 1.092 · 1.092
refractive index: 1.6372 · 1.6372
Flash point: 153 ℃ · 153℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H314-H411
Precautionary statements: 501 · P501-P273-P270-P264-P280-P391-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
Hazard statements: H302-H314-H411
Precautionary statements: P501-P273-P270-P264-P280-P391-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405