m-Anisoylchlorid

m-Anisoyl chloride

HCID 74374CAS 1711-05-3

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Grundinformationen

Standard-SMILES: COc1cccc(C(=O)Cl)c1
InChIKey: RUQIUASLAXJZIE-UHFFFAOYSA-N
Summenformel: C8H7ClO2
Durchschnittliche Molmasse: 170,59 g/mol
Monoisotopische Masse: 170,01345714

Namen und Bezeichner

Bevorzugter Name: m-Anisoyl chloride
IUPAC: 3-methoxybenzoyl chloride
Lokaler Name: m-Anisoylchlorid
Englischer Name: 3-Methoxybenzoyl chloride
Summenformel: C8H7ClO2
Molmasse: 170.59

Namen und Synonyme

3-Methoxybenzoyl chloridem-Anisoyl chloridem-Methoxybenzoyl chlorideBenzoyl chloride, 3-methoxy-Benzoyl chloride, m-methoxy-EINECS 216-975-2DTXSID10169011RefChem:154859DTXCID6091502216-975-2RUQIUASLAXJZIE-UHFFFAOYSA-N1711-05-3

Weitere Namen anzeigen

3-MethoxybenzoyLAKOS BBS-000039143-METHOXYBENZOYL CHLm-Anisoyl chloride,99%3-Methoxybenzyl Chlorid3-Methoxybenzol chloride

3-anisoyl chlorideMFCD000006733-methoxybenzoylchlorideMM9WQ3B2N6m-anisic acid chloride3-Methoxybenzoic acid chloridem-anisoylchloride3-Anisoylchlorid

Datenbank-Bezeichner

CAS: 1711-05-3
PubChem CID: 74374
DTXSID: DTXSID10169011
UNII: MM9WQ3B2N6
EC Number: 216-975-2
Nikkaji: J7.569H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Siedepunkt: 123 · 123-125 °C15 mm Hg(lit.)
Dichte: 1.214 g/mL · 1.214 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.558(lit.)
Flammpunkt: 198 °F · 198 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
Wichte: 1.214 · 1.214
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Soluble in chloroform. Reacts with water.
BRN: 386659 · 386659
InChI: 1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChIKey: RUQIUASLAXJZIE-UHFFFAOYSA-N
SMILES: COc1cccc(c1)C(Cl)=O
CAS Datenbank: 1711 · 1711-05-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 10-19-21
wgk: 3
ridadr: UN 1729 8/PG 2
hs_code: 29147000
risk_code: 34-36/37
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Methoxybenzoyl chloride is used in the synthesis of 2-arylbenzofuran-based molecules that act against Alzheimers disease, combatting symptoms. In addition, it aids in the optimization of dihydropyrrolopyrimidine inhibitors against PI3K (phosphoinositide 3-kinase) resulting in tumor growth inhibition.