4-Iodtoluol

4-Iodotoluene

HCID 12207CAS 624-31-7

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Grundinformationen

Standard-SMILES: Cc1ccc(I)cc1
InChIKey: UDHAWRUAECEBHC-UHFFFAOYSA-N
Summenformel: C7H7I
Durchschnittliche Molmasse: 218,03 g/mol
Monoisotopische Masse: 217,95924822

Namen und Bezeichner

Bevorzugter Name: 4-Iodotoluene
IUPAC: 1-iodo-4-methylbenzene
Lokaler Name: 4-Iodtoluol
Englischer Name: 4-Iodotoluene
Summenformel: C7H7I
Molmasse: 218.04

Namen und Synonyme

4-Iodotoluene1-Iodo-4-methylbenzene624-31-7P-IODOTOLUENEBenzene, 1-iodo-4-methyl-p-Tolyl iodidep-MethyliodobenzeneToluene, p-iodo-1-Methyl-4-iodobenzeneG75KCN1AM8NSC-3776DTXSID4060785

Weitere Namen anzeigen

4-Iodotouene4-IodotoL4-lodotoluene4-IodotoIuene

RefChem:858092DTXCID6043333210-841-7MFCD000010591-iodo-4-methyl-benzene4-methyliodobenzenep-tolyliodide4-iodo toluene

Datenbank-Bezeichner

CAS: 624-31-7
PubChem CID: 12207
DTXSID: DTXSID4060785
UNII: G75KCN1AM8
EC Number: 210-841-7
Nikkaji: J43.527I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 62,8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionWhite to yellow solid; mp = 33-35 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 33 · 33-35 °C (lit.)
Siedepunkt: 211.5 °C · 211.5 °C (lit.)
Dichte: 1 · 1,678 g/cm3
Brechungsindex: 1.6155 · 1.6155 (estimate)
Flammpunkt: 194 °F · 194 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Solubility in methanol is almost transparent.
Aggregatzustand: Crystalline Low Melting Mass
Farbe: White to light yellow
Wasserlöslichkeit: insoluble
BRN: 1903637 · 1903637
InChI: 1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey: UDHAWRUAECEBHC-UHFFFAOYSA-N
SMILES: Cc1ccc(I)cc1
CAS Datenbank: 624 · 624-31-7(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-iodo-4-methyl-(624-31-7)
EPA chemische Informationen: 1 · Benzene, 1-iodo-4-methyl- (624-31-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzene, 1-iodo-4-methyl-

Status: Active Update: 26-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26721

4-Iodotoluene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 4-Chlorotoluene.

Hazard Classes and CategoriesAcute Tox. 4 (40%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29036990
risk_code: 36/38-36/37/38
hazard_code: Xi
safety_code: 24/25-26
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralSkin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-iodo-4-methyl-: ACTIVE

Anwendungen

Verwenden4-Iodotoluene is used in wide range of medicals industrial applications as well as in pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.