Grundinformationen
- Standard-SMILES
COc1cccc(Cl)c1- InChIKey
YUKILTJWFRTXGB-UHFFFAOYSA-N- Summenformel
- C7H7ClO
- Durchschnittliche Molmasse
- 142,58 g/mol
- Monoisotopische Masse
- 142,0185425
Namen und Bezeichner
- Bevorzugter Name
- 3-Chloroanisole
- IUPAC
- 1-chloro-3-methoxybenzene
- Lokaler Name
- 3-Chloranisol
- Englischer Name
- 3-Chloroanisole
- Summenformel
- C7H7ClO
- Molmasse
- 142.58
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2845-89-8- PubChem CID
- 17833
- DTXSID
DTXSID7062667- UNII
- HQ8W659XSK
- EC Number
- 220-642-7
- Nikkaji
- J5.167E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 85
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1072;1081;1084;1080;1085;1092;1068
1110.8;1126
1582;1588;1604;1618;1623;1628
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · 25°C
- Siedepunkt
- 193 °C · 193 °C (lit.)
- Dichte
- 1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.536(lit.)
- Flammpunkt
- 164 °F · 164 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 235 mg/l · 235mg/l
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wichte
- 1.164 · 1.164
- Wasserlöslichkeit
- 15 g/L · 15g/L(25 ºC)
- BRN
- 2041497 · 2041497
- Henry's Law Constant
- 4.5 · 4.5×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- InChI
- 1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
- InChIKey
- YUKILTJWFRTXGB-UHFFFAOYSA-N
- SMILES
- COc1cccc(Cl)c1
- CAS Datenbank
- 2845 · 2845-89-8(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-chloro-3-methoxy-(2845-89-8)
- EPA chemische Informationen
- 1 · Benzene, 1-chloro-3-methoxy- (2845-89-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Warning
H227 (20%): Combustible liquid [Warning Flammable liquids];H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29093090
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden3-Chloroanisole was employed as starting reagent in the regioselective synthesis of 4- and 7-alkoxyindoles. It was also employed as electrolyte additive for the overcharging protection of Li-ion cell.
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