1-(3-Chloro-4-hydroxyphenyl)ethanone
Grundinformationen
- CAS
2892-29-7- Standard-SMILES
CC(=O)c1ccc(O)c(Cl)c1- InChIKey
GMTSPBYBJKGPJF-UHFFFAOYSA-N- Summenformel
- C8H7ClO2
- Durchschnittliche Molmasse
- 170,59 g/mol
- Monoisotopische Masse
- 170,0134572
Namen und Bezeichner
- Bevorzugter Name
- 1-(3-Chloro-4-hydroxyphenyl)ethanone
- IUPAC
- 1-(3-chloro-4-hydroxyphenyl)ethanone
- Englischer Name
- 1-(3-Chloro-4-hydroxyphenyl)-1-ethanone
- Summenformel
- C8H7ClO2
- Molmasse
- 170.59
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2892-29-7- PubChem CID
- 1051514
- DTXSID
DTXSID00359984- EC Number
- 620-213-8
- Nikkaji
- J1.667.983F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 158
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 · 86-89
- Siedepunkt
- 313.2 · 313.2±27.0 °C(Predicted)
- Dichte
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 6.7 · 6.70±0.18(Predicted)
- Farbe
- White to Light yellow to Light orange
- InChI
- 1S/C8H7ClO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
- InChIKey
- GMTSPBYBJKGPJF-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(O)c(Cl)c1
- LogP
- 2.109 at · 2.109 at 25℃
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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 42 reports by companies.;There are 4 notifications provided by 41 of 42 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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3335
- hs_code
- 2914790090
- risk_code
- 22-37/38-41
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Darstellung
synthetischePreparation by reaction of acetyl chloride on 2-chloro-phenol with aluminium chloride in refluxing carbon disulfide (98%).
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