Grundinformationen
- Standard-SMILES
O=C(CBr)c1ccccc1O- InChIKey
SGPKEYSZPHMVNI-UHFFFAOYSA-N- Summenformel
- C8H7BrO2
- Durchschnittliche Molmasse
- 215,04 g/mol
- Monoisotopische Masse
- 213,96294156
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromo-2'-hydroxyacetophenone
- IUPAC
- 2-bromo-1-(2-hydroxyphenyl)ethanone
- Englischer Name
- 2-Bromo-2′-hydroxyacetophenone
- Summenformel
- C8H7BrO2
- Molmasse
- 215.04
Namen und Synonyme
2-Bromo-2'-hydroxyacetophenone2-Bromo-1-(2-hydroxyphenyl)ethanoneRefChem:466123626-439-32491-36-32-Hydroxyphenacyl bromideEthanone, 2-bromo-1-(2-hydroxyphenyl)-2-bromo-1-(2-hydroxyphenyl)ethan-1-oneMFCD017275702-bromo-1-(2-hydroxy-phenyl)-ethanone2-Bromo-2'-hydroxylacetophenone4-08-00-00329 (Beilstein Handbook Reference)
Weitere Namen anzeigen
2-AMINO-3'2-Bromo-2′Cyclohexane Impurity 42-Bromo-2’-hydroxyacetophenone2-(2-bromoacetyl)hydroxybenzene2-Bromo-2'-hydroxyacetophenone 97%
2-Bromo-2'-hydroxyacetophenone, 97%EN300-49229BRN 0637210FT-0652594SCHEMBL17011422-Bromo-2 inverted exclamation mark -hydroxyacetophenone2-Bromo-2 inverted exclamation marka-hydroxyacetophenoneSCHEMBL29845700
Datenbank-Bezeichner
- CAS
2491-36-3- PubChem CID
- 200671
- DTXSID
DTXSID90179618- EC Number
- 626-439-3
- Nikkaji
- J1.630.673H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 147
Physikochemische Eigenschaften
- Schmelzpunkt
- 44 · 44-48 °C(lit.)
- Siedepunkt
- 152 · 152-158 °C(Press: 18 Torr)
- Dichte
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform, Methanol
- pka
- 7.63 · 7.63±0.30(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Yellow
- InChI
- 1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2
- InChIKey
- SGPKEYSZPHMVNI-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1C(=O)CBr
- CAS Datenbank
- 2491 · 2491-36-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29147000
- RTECS-Nr.
- KM5556400
- risk_code
- 22-34
- Toxizität
- mouse,LD50,oral,821mg/kg (821mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 183, 1992.
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory/Keep Cold
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden2-Bromo-2′-hydroxyacetophenone is used as a pharmaceutical intermediate.
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