4-(Chlormethyl)-1,2-dimethoxybenzol

Veratryl chloride

HCID 81740CAS 7306-46-9

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Grundinformationen

Standard-SMILES: COc1ccc(CCl)cc1OC
InChIKey: WWHJLVMBXXXUFO-UHFFFAOYSA-N
Summenformel: C9H11ClO2
Durchschnittliche Molmasse: 186,63 g/mol
Monoisotopische Masse: 186,0447573

Namen und Bezeichner

Bevorzugter Name: Veratryl chloride
IUPAC: 4-(chloromethyl)-1,2-dimethoxybenzene
Lokaler Name: 4-(Chlormethyl)-1,2-dimethoxybenzol
Englischer Name: 3,4-Dimethoxybenzyl chloride
Summenformel: C9H11ClO2
Molmasse: 186.64

Namen und Synonyme

7306-46-94-(Chloromethyl)-1,2-dimethoxybenzeneVeratryl chlorideBenzene, 4-(chloromethyl)-1,2-dimethoxy-4-(Chloromethyl)-1,2-dimethoxy benzene98LR9N3ETZDTXSID00223338RefChem:97394DTXCID00145829230-756-93,4-Dimethoxybenzyl chloride3,4-Dimethoxybenzylchloride

Weitere Namen anzeigen

DMBClVeratveratrylchloridveratrylchlorideVerapamil Impurity 24Verapamil Impurity 27

MFCD00185554alpha-Chloro-3,4-dimethoxytoluene4-(chloromethyl)-1,2-dimethoxy-benzeneVeratryl chloridVeratryl chlorid [German]3,4-Bis(methoxy)-benzyl chlorideEINECS 230-756-9BRN 0973727

Datenbank-Bezeichner

CAS: 7306-46-9
PubChem CID: 81740
DTXSID: DTXSID00223338
UNII: 98LR9N3ETZ
EC Number: 230-756-9
Nikkaji: J15.028B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Schmelzpunkt: 50 · 50-53 °C(lit.)
Siedepunkt: 266.98 °C · 266.98°C (rough estimate)
Dichte: 1.1631 · 1.1631 (rough estimate)
Brechungsindex: 1.508 · 1.5080 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3
InChIKey: WWHJLVMBXXXUFO-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(CCl)C=C1OC
CAS Datenbank: 7306 · 7306-46-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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.