4-Iodophenylhydrazine

HCID 704591CAS 13116-27-3

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Grundinformationen

Standard-SMILES: NNc1ccc(I)cc1
InChIKey: IQMLCMKMSBMMGR-UHFFFAOYSA-N
Summenformel: C6H7IN2
Durchschnittliche Molmasse: 234,04 g/mol
Monoisotopische Masse: 233,96539622

Namen und Bezeichner

Bevorzugter Name: 4-Iodophenylhydrazine
IUPAC: (4-iodophenyl)hydrazine
Englischer Name: 4-Iodophenylhydrazine
Summenformel: C6H7IN2
Molmasse: 234.04

Namen und Synonyme

4-Iodophenylhydrazine13116-27-3DTXSID60351606RefChem:99477DTXCID00302672626-382-4IQMLCMKMSBMMGR-UHFFFAOYSA-N(4-iodophenyl)hydrazine1-(4-iodophenyl)hydrazineMFCD00052688Hydrazine, (4-iodophenyl)-hydrazine, (4-iodophenyl)-, hydroiodide

Weitere Namen anzeigen

BUTTPARK 43\57-234-Hydrazinoiodobenzene4-IODOPHENYLHYDRAZINE, 95+%4-Iodophenylhydrazine, 95% 1GR

(4-Iodo-phenyl)-hydrazine4-iodo phenyl hydrazine1-Hydrazino-4-iodobenzenep-iodophenyl-hydrazinehydrazine, 4-iodophenyl-4-Iodophenylhydrazine 95%4-Iodophenylhydrazine, 95%SCHEMBL1003203

Datenbank-Bezeichner

CAS: 13116-27-3
PubChem CID: 704591
DTXSID: DTXSID60351606
EC Number: 626-382-4
Nikkaji: J1.237.726F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 38,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 79,1

Physikochemische Eigenschaften

Schmelzpunkt: 102 · 102-106 °C (lit.)
Siedepunkt: 304.8 · 304.8±25.0 °C(Predicted)
Dichte: 1.981 · 1.981±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 4.91 · 4.91±0.20(Predicted)
Aggregatzustand: solid
Farbe: Tan
Wasserlöslichkeit: Insoluble in water.
BRN: 742475 · 742475
InChI: InChI=1S/C6H7IN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
InChIKey: IQMLCMKMSBMMGR-UHFFFAOYSA-N
SMILES: N(C1=CC=C(I)C=C1)N
CAS Datenbank: 13116 · 13116-27-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, 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

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29280000
risk_code: 22-36/37/38-43-40-20/21/22
hazard_code: Xn,Xi
hazard_note: Harmful/Light Sensitive
safety_code: 26-45-36/37/39-24-36/37
hazard_class: IRRITANT-HARMFUL, LIGHT SENSITIVE
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3