Grundinformationen
- Standard-SMILES
OCc1c(Cl)cccc1Cl- InChIKey
WKKHCCZLKYKUDN-UHFFFAOYSA-N- Summenformel
- C7H6Cl2O
- Durchschnittliche Molmasse
- 177,02 g/mol
- Monoisotopische Masse
- 175,9795702
Namen und Bezeichner
- Bevorzugter Name
- Benzenemethanol, 2,6-dichloro-
- IUPAC
- (2,6-dichlorophenyl)methanol
- Lokaler Name
- 2,6-Dichlorbenzylalkohol
- Englischer Name
- 2,6-Dichlorobenzyl alcohol
- Summenformel
- C7H6Cl2O
- Molmasse
- 177.03
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
15258-73-8- PubChem CID
- 27156
- DTXSID
DTXSID30165075- UNII
- J8KSU5EL67
- EC Number
- 239-300-3
- Nikkaji
- J81.837B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 97
Physikochemische Eigenschaften
- Schmelzpunkt
- 96 · 96-98 °C(lit.)
- Siedepunkt
- 150 °C · 150°C 25mm
- Dichte
- 1.297 · 1.2970 (rough estimate)
- Brechungsindex
- 1.557 · 1.5570 (estimate)
- Flammpunkt
- 150 °C/25mm · 150°C/25mm
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.57 · 13.57±0.10(Predicted)
- Farbe
- White to Off-White
- BRN
- 1938356 · 1938356
- InChI
- 1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
- InChIKey
- WKKHCCZLKYKUDN-UHFFFAOYSA-N
- SMILES
- OCc1c(Cl)cccc1Cl
- CAS Datenbank
- 15258 · 15258-73-8(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,6-Dichlorobenzyl alcohol(15258-73-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanol, 2,6-dichloro-
Benzenemethanol, 2,6-dichloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatorische Informationen
Regulatory Information
Chemical: Benzenemethanol, 2,6-dichloro-
Benzenemethanol, 2,6-dichloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29062990
- RTECS-Nr.
- DO0900000
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden2,6-Dichlorobenzyl Alcohol is a useful reagent in organic synthesis.
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