4,4'-Diiodbiphenyl

4,4'-Diiodo-1,1'-biphenyl

HCID 76348CAS 3001-15-8

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Grundinformationen

Standard-SMILES: Ic1ccc(-c2ccc(I)cc2)cc1
InChIKey: GPYDMVZCPRONLW-UHFFFAOYSA-N
Summenformel: C12H8I2
Durchschnittliche Molmasse: 406 g/mol
Monoisotopische Masse: 405,87154626

Überblick

induces drug metabolism enzymes

Namen und Bezeichner

Bevorzugter Name: 4,4'-Diiodo-1,1'-biphenyl
IUPAC: 1-iodo-4-(4-iodophenyl)benzene
Lokaler Name: 4,4'-Diiodbiphenyl
Englischer Name: 4,4'-Diiodobiphenyl
Summenformel: C12H8I2
Molmasse: 406

Namen und Synonyme

4,4'-Diiodobiphenyl3001-15-84,4'-Diiodo-1,1'-biphenyl1,1'-Biphenyl, 4,4'-diiodo-4,4'-DiiododiphenylDTXSID5062766LLR69F3JMZRefChem:96260DTXCID1038115221-080-51-iodo-4-(4-iodophenyl)benzeneMFCD00001057

Weitere Namen anzeigen

4,4'-DIODOBIPHENYL4,4'-Diiodbiphenyl4,4'-diiidodiphenyl4,4'-Diiodobiphenyl>4,4'-Diiodobiphenyl,99%

p,p'-Dijoddiphenyl4,4'-diiodo-biphenylBiphenyl, 4,4'-diiodo4,4'-DIIODODOPHENYL, PRACTAKOS003595921AS-145514,4'-Diiodobiphenyl, technical grade, 90%4,4 inverted exclamation mark -Diiodobiphenyl

Datenbank-Bezeichner

CAS: 3001-15-8
PubChem CID: 76348
DTXSID: DTXSID5062766
UNII: LLR69F3JMZ
EC Number: 221-080-5
Nikkaji: J60.939K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 145

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionCrystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 201 · 201-204 °C(lit.)
Siedepunkt: 380.9 · 380.9±35.0 °C(Predicted)
Dichte: 2.041 · 2.041±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in hot Toluene(very faint turbidity).
Aggregatzustand: Powder
Farbe: Pale yellow to beige
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
SMILES: C1(C2=CC=C(I)C=C2)=CC=C(I)C=C1
CAS Datenbank: 3001 · 3001-15-8(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4,4'-Diiododiphenyl(3001-15-8)
EPA chemische Informationen: 1 · 1,1'-Biphenyl, 4,4'-diiodo- (3001-15-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryInduces drug metabolism enzymes. [ChemIDplus] An irritant; [Alfa Aesar MSDS] See Biphenyl. See 4-Bromobiphenyl.

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3152 9/PG 2
hs_code: 29039990
risk_code: 20/21/22-37/38-36-36/37/38
hazard_code: Xn,Xi
safety_code: 36-37-26
hazard_class: 9
packing_group: II
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral