CAS 19053-14-6 4,4''-Diiodo-p-terphenyl (HCID 3563583)

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Basic information

CAS: 19053-14-6
Standard SMILES: Ic1ccc(-c2ccc(-c3ccc(I)cc3)cc2)cc1
InChIKey: QGMMWGLDOBFHTL-UHFFFAOYSA-N
Molecular formula: C18H12I2
Average molar mass: 482.1 g/mol
Monoisotopic mass: 481.90284638

Names & identifiers

Preferred name: 4,4''-Diiodo-p-terphenyl
IUPAC: 1,4-bis(4-iodophenyl)benzene
English name: 4,4''-Diiodo-p-terphenyl
Molecular formula: C18H12I2
Molecular weight: 482.1

Names & synonyms

19053-14-64,4''-Diiodo-p-terphenylDTXSID10393677RefChem:284387DTXCID00344537679-700-94,4''-Diiodo-1,1':4',1''-terphenyl1,4-bis(4-iodophenyl)benzene1,1':4',1''-Terphenyl, 4,4''-diiodo-MFCD004202954,4/'/'-Diiodo-p-terphenyl4,4''-Diiodo-1,1':4',1''-terphenyl;4,4"-diiodo-p-terphenyl

Show more names

4-Bromo-1H-indole-diiodo-p-terphenyl4,4’’-Diiodo-p-terphenyl4,4''-Diiodo-p-terphenyl>1,4-bis(4-iodophenyl)benzene

4-bromo indoleC18H12I24-IODO-4'-(4-IODOPHENYL)-1,1'-BIPHENYL4,4'-diiodo-p-terphenylSCHEMBL759311,4-bis(p-iodophenyl)benzene4,4-diiodo-1,1:4,1-terphenylAKOS003595837

Database identifiers

CAS: 19053-14-6
PubChem CID: 3563583
DTXSID: DTXSID10393677
EC Number: 679-700-9
Nikkaji: J1.398.416F

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 250

Physicochemical properties

Melting point: 328 °C · 328 °C
Boiling point: 500.6 · 500.6±43.0 °C(Predicted)
Density: 1.825 · 1.825±0.06 g/cm3(Predicted)
form: powder to crystal
color: White to Orange to Green
InChI: InChI=1S/C18H12I2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H
InChIKey: QGMMWGLDOBFHTL-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C3=CC=C(I)C=C3)C=C2)=CC=C(I)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
RIDADR: 3152 · UN 3152 9/PG II
HazardClass: 9 · 9
PackingGroup: II
HS Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (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 CategoriesEye Dam. 1 (100%)

Safety data

ridadr: UN 3152 9/PG II
hs_code: 2903998090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 9
packing_group: II
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313