1-iodo-4-(4-iodophenyl)benzene

• ChemBase ID: 11742
• Molecular Formular: C12H8I2
• Molecular Mass: 406.00086
• Monoisotopic Mass: 405.87154626
• SMILES: c1c(ccc(c1)c1ccc(cc1)I)I
• Canonical SMILES: Ic1ccc(cc1)c1ccc(cc1)I
• InChI: InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
• InChIKey: GPYDMVZCPRONLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-4-(4-iodophenyl)benzene
• IUPAC Traditional name: 1-iodo-4-(4-iodophenyl)benzene
• Synonyms: 4,4'-Diiodobiphenyl; 4,4′-Diiodobiphenyl; 4,4'-Diiodobiphenyl; 4,4'-DIIODODOPHENYL, PRACT; 4,4′-二碘联苯; 4,4'-二碘联苯

Database IDs

• CAS Number: 3001-15-8
• EC Number: 221-080-5
• MDL Number: MFCD00001057
• PubChem SID: 160975049; 24893379
• PubChem CID: 76348

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.47836
• LogD (pH = 7.4): 5.47836
• Log P: 5.47836
• Molar Refractivity: 77.9192 cm^3
• Polarizability: 31.403795 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 201-204 °C(lit.); 201-204°C; 205-207°C; 205-211°C

Safety Information

• Storage Warning: Irritant; LIGHT SENSITIVE; Light Sensitive
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3152; UN3152
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 2; II
• Risk Statements: 20/21/22; 52/53
• Safety Statements: 36; 61
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332; H402-H412
• GHS Precautionary statements: P273-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3152 9/PG 2

Product Information

• Purity: 90%; 97%; 98%; 99%
• Grade: technical grade
• Linear Formula: IC6H4C6H4I

DETAILS

MP Biomedicals - 05208036

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D122408

Packaging
25 g in glass bottle