CAS 121177-67-1 5-Iodo-2,4-dimethoxybenzaldehyde (HCID 14245955)

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Grundinformationen

CAS: 121177-67-1
Standard-SMILES: COc1cc(OC)c(C=O)cc1I
InChIKey: RKDRKAVGBBJYJG-UHFFFAOYSA-N
Summenformel: C9H9IO3
Durchschnittliche Molmasse: 292,07 g/mol
Monoisotopische Masse: 291,95964215

Namen und Bezeichner

Bevorzugter Name: 5-Iodo-2,4-dimethoxybenzaldehyde
IUPAC: 5-iodo-2,4-dimethoxybenzaldehyde
Englischer Name: 5-IODO-2,4-DIMETHOXY-BENZALDEHYDE
Summenformel: C9H9IO3
Molmasse: 292.07

Namen und Synonyme

5-Iodo-2,4-dimethoxybenzaldehyde121177-67-1DTXSID40557927RefChem:303518DTXCID105087095-IODO-2,4-DIMETHOXY-BENZALDEHYDEMFCD09701205AGN-PC-000TKA, CTK8G6862, Benzaldehyde, 5-iodo-2,4-dimethoxy-, 5-IODO-2,4-DIMETHOXY-BENZALDEHYDE, 121177-67-1SCHEMBL2816217RKDRKAVGBBJYJG-UHFFFAOYSA-N5-iodo-2,4-dimethoxy- benzaldehydeSB31780

Weitere Namen anzeigen

Benzaldehyde, 5-iodo-2,4-dimethoxy-5-Iodo-2,4-dimethoxybenzaldehyde 97%

5-Iodo-2,4-dimethoxybenzaldehyde, 97%DB-061882CS-0442152

Datenbank-Bezeichner

CAS: 121177-67-1
PubChem CID: 14245955
DTXSID: DTXSID40557927
EC Number: 694-471-5
Nikkaji: J2.541.788G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Schmelzpunkt: 172 · 172-176°C
Aggregatzustand: solid
InChI: 1S/C9H9IO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChIKey: RKDRKAVGBBJYJG-UHFFFAOYSA-N
SMILES: COc1cc(OC)c(C=O)cc1I

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 22-36/37/38-43-52
hazard_code: Xn
safety_code: 26-36/37
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3