3-Phenylindole

HCID 96502
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Basic information

CAS
1504-16-1
Standard SMILES
c1ccc(-c2c[nH]c3ccccc23)cc1
InChIKey
XZNGTBLWFCRXKR-UHFFFAOYSA-N
Molecular formula
C14H11N
Average molar mass
193.24 g/mol
Monoisotopic mass
193.08914935

Names & identifiers

Preferred name
3-Phenylindole
IUPAC
3-phenyl-1H-indole
English name
3-phenylindole
Molecular formula
C14H11N
Molecular weight
193.24

Names & synonyms

3-Phenylindole1504-16-17676CPK41GNSC-76690DTXSID80164538RefChem:911613DTXCID50870293-Phenyl-1H-indole1H-Indole, 3-phenyl-MFCD00033474NSC 76690UNII-7676CPK41G
Show more names
3-phenyl indole3-Phenyl-3H-indole3-Phenyl-1H-indole #SCHEMBL84056SCHEMBL699524SCHEMBL718222SCHEMBL815469CHEMBL394896

Database identifiers

CAS
1504-16-1
PubChem CID
96502
DTXSID
DTXSID80164538
ChEMBL
CHEMBL394896
UNII
7676CPK41G
Nikkaji
J47.175E

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
15.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
109 ℃ · 109℃
Boiling point
226 °C · 226 °C(Press: 14 Torr)
Density
1.156 · 1.156±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
16.74 · 16.74±0.30(Predicted)
Appearance
Off-white to yellow Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers79 total

上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

22 records
New reaction record

Compound notes

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