Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy- (HCID 79499)

Namen und Bezeichner

Bevorzugter Name: Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy-
IUPAC: 4-hydroxy-3-iodo-5-methoxybenzaldehyde
Lokaler Name: 5-Iodovanillin
Englischer Name: 5-Iodovanillin
Summenformel: C8H7IO3
Molmasse: 278.04

Namen und Synonyme

5-Iodovanillin4-Hydroxy-3-iodo-5-methoxybenzaldehyde5 IodovanillinBenzaldehyde, 4-hydroxy-3-iodo-5-methoxy-EINECS 226-617-7NSC 16678DTXSID3063885FBBCSYADXYILEH-UHFFFAOYSA-RefChem:561377DTXCID0041694226-617-7InChI=1/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

Weitere Namen anzeigen

AKOS B0041795-IodovanilinIodovanillin,5-AKOS BBS-000046405-Iodovanillin>5-Iodovanillin,97%5-Iodovanillin 97%5-IODOVANILLIC ACID

5438-36-8MFCD000069413-methoxy-4-hydroxy-5-iodobenzaldehyde5-iodovanilline5-iodo vaniline4-Hydroxy-3-iodo-5-methoxybenzaldehyde; 3-Iodo-4-hydroxy-5-methoxybenzaldehyde; 3-Iodo-5-methoxy-4-hydroxybenzaldehyde; 4-Hydroxy-5-iodo-3-methoxybenzaldehyde; 5-Iodo-3-methoxy-4-hydroxybenzaldehyde; NSC 16678NSC166783-iodo-4-hydroxy-5-methoxybenzaldehyde

Datenbank-Bezeichner

CAS: 5438-36-8
PubChem CID: 79499
DTXSID: DTXSID3063885
EC Number: 226-617-7
Nikkaji: J218.024C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 183 · 183-185 °C (lit.)
Siedepunkt: 304 ℃ · 304℃
Dichte: 1.909 · 1.909
Flammpunkt: 138 ℃ · 138℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Fine Crystalline Powder
pka: 6.34 · 6.34±0.23(Predicted)
Farbe: Light yellow
BRN: 2049762 · 2049762
InChI: InChI=1S/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey: FBBCSYADXYILEH-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=C(O)C(I)=C1
CAS Datenbank: 5438 · 5438-36-8(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy- (5438-36-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 38220090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 4-hydroxy-3-iodo-5-methoxy-: INACTIVE

Anwendungen

Verwenden5-Lodovanillin was used in the characterization of 5-Iodoacetovanillone. 5-Iodovanillin has also been used in the synthesis of platelet activating factor antagonist L-659,989.