4-Ethyl-4'-iodobiphenyl

HCID 15477828CAS 17078-76-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1ccc(-c2ccc(I)cc2)cc1
InChIKey
DUQFCMVIJVWQMX-UHFFFAOYSA-N
Molecular formula
C14H13I
Average molar mass
308.16 g/mol
Monoisotopic mass
308.00619842

Names & identifiers

Preferred name
4-Ethyl-4'-iodobiphenyl
IUPAC
1-ethyl-4-(4-iodophenyl)benzene
English name
4-ETHYL-4'-IODOBIPHENYL
Molecular formula
C14H13I
Molecular weight
308.16

Names & synonyms

4-Ethyl-4'-iodobiphenyl17078-76-14-Ethyl-4'-iodo-1,1'-biphenyl1-ethyl-4-(4-iodophenyl)benzene4-Ethyl-4'-iodo-biphenylMFCD034275514-ETHYL-4/'-IODOBIPHENYL4-Iodo-4'-ethylbiphenylSCHEMBL455526SCHEMBL7102517SCHEMBL15063621DTXSID00573143
Show more names
HYL-4'-IODOBIPHENYL4-iodine-4'-ethyl biphenyl1,1'-Biphenyl, 4-ethyl-4'-iodo-
AKOS015911444BS-52285CS-0448237E78428F770996

Database identifiers

CAS
17078-76-1
PubChem CID
15477828
DTXSID
DTXSID00573143
Nikkaji
J891.193B

Properties

Computed structural properties

XLogP
5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Boiling point
347.4 · 347.4±31.0 °C(Predicted)
Density
1.47 · 1.470±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
InChI
InChI=1S/C14H13I/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3
InChIKey
DUQFCMVIJVWQMX-UHFFFAOYSA-N
SMILES
C1(C2=CC=C(I)C=C2)=CC=C(CC)C=C1

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers43 total

上海炎泽化工有限公司15345144255 19975051755 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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