CAS 2100-42-7 2-Chloro-1,4-dimethoxybenzene (HCID 246724)

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Grundinformationen

CAS: 2100-42-7
Standard-SMILES: COc1ccc(OC)c(Cl)c1
InChIKey: QMXZSRVFIWACJH-UHFFFAOYSA-N
Summenformel: C8H9ClO2
Durchschnittliche Molmasse: 172,61 g/mol
Monoisotopische Masse: 172,0291072

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-1,4-dimethoxybenzene
IUPAC: 2-chloro-1,4-dimethoxybenzene
Lokaler Name: 1-Chlor-2,5-dimethoxybenzol
Englischer Name: 2-Chloro-1,4-dimethoxybenzene
Summenformel: C8H9ClO2
Molmasse: 172.61

Namen und Synonyme

2-Chloro-1,4-dimethoxybenzene2100-42-71-Chloro-2,5-dimethoxybenzene2,5-DimethoxychlorobenzeneChlorohydroquinone dimethyl etherChloro-1,4-dimethoxybenzeneDTXSID3041403NSC-60152HF0105709IDTXCID1021403RefChem:861122Cl-1,4DMB

Weitere Namen anzeigen

CHLORO-2,5-DIMETHOXYBENZENEO-CHLORO-P-DIMETHOXYBENZENE1-Chlor-2,5-dimethoxybenzol1,4-Dimethoxy-2-chlorophenol2-chloro-1,4-dimethoxy-benzen

218-267-9Benzene, 2-chloro-1,4-dimethoxy-2-chloro-1,4-dimethoxy-benzeneMFCD00008356monochloro-1,4-dimethoxybenzeneCHEMBL45612021,4-dimethoxy-2-chlorobenzene6-Chloro-1,4-dimethoxy benzene

Datenbank-Bezeichner

CAS: 2100-42-7
PubChem CID: 246724
DTXSID: DTXSID3041403
ChEMBL: CHEMBL4561202
ChEBI: CHEBI:194668
UNII: HF0105709I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1312.9

1365；1356.2

Physikochemische Eigenschaften

Schmelzpunkt: 8.1 °C · 8.1 °C
Siedepunkt: 247 °C · 247 °C (759.8513 mmHg)
Dichte: 1.21 · 1.21
Dampfdruck: 0.02 · 0.02-2.4Pa at 20-50℃
Brechungsindex: 1.5452 · 1.5452-1.5472
Flammpunkt: 117 °C · 117 °C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 1.23 · 1.23
Wasserlöslichkeit: practically insoluble
LogP: 2.7 at · 2.7 at 23℃ and pH6-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (62.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (12.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 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

Regulatory InformationStatus: Active Update: 21-04-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1900

Hazard Classes and CategoriesAcute Tox. 4 (37.5%)；Skin Irrit. 2 (87.5%)；Eye Irrit. 2 (62.5%)；STOT SE 3 (62.5%)；Aquatic Chronic 3 (12.5%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 21-04-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1900

Sicherheitsdaten

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 2-chloro-1,4-dimethoxy-: ACTIVE

Anwendungen

Verwenden2-chloro-1,4-dimethoxy-Benzene is a useful reactant which has been used in Suzuki cross-coupling reactions of aryl chlorides with arylboronic acids.