3-Brombenzylalkohol
3-Bromobenzyl alcohol
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Grundinformationen
- CAS
15852-73-0- Standard-SMILES
OCc1cccc(Br)c1- InChIKey
FSWNRRSWFBXQCL-UHFFFAOYSA-N- Summenformel
- C7H7BrO
- Durchschnittliche Molmasse
- 187,03 g/mol
- Monoisotopische Masse
- 185,96803
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromobenzyl alcohol
- IUPAC
- (3-bromophenyl)methanol
- Lokaler Name
- 3-Brombenzylalkohol
- Englischer Name
- 3-Bromobenzyl alcohol
- Summenformel
- C7H7BrO
- Molmasse
- 187.03
Namen und Synonyme
3-Bromobenzyl alcohol15852-73-0Benzenemethanol, 3-bromo-3-BromobenzenemethanolEINECS 239-975-4DTXSID70166440RefChem:499310DTXCID8088931239-975-4InChI=1/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H(3-Bromophenyl)methanolm-Bromobenzyl alcohol
Weitere Namen anzeigen
RARECHEM AL BD 00523-Bromobenzyl alcohol 98%3-Bromobenzyl alcohol,99%3-Bromobenzyl Alcohol >3-BroMobenzyl Alcohol, 97+%
MFCD00004629(3-bromophenyl)methan-1-ol3-Bromobenzylalcoholm-bromobenzylalcohol3-bromophenylmethanol3-bromophenyl-methanol3-bromo benzyl alcohol3- bromophenyl-methanol
Datenbank-Bezeichner
- CAS
15852-73-0- PubChem CID
- 85141
- DTXSID
DTXSID70166440- ChEMBL
CHEMBL2323842- EC Number
- 239-975-4
- Nikkaji
- J278J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 85
Physikochemische Eigenschaften
- Schmelzpunkt
- 110 · 110-112
- Siedepunkt
- 165 °C16 · 165 °C16 mm Hg(lit.)
- Dichte
- 1.56 g/mL · 1.56 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.584(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Wasserlöslichkeit
- Slightly soluble in water
- Aggregatzustand
- clear liquid
- pka
- 14.28 · 14.28±0.10(Predicted)
- Farbe
- Colorless to Light yellow to Light orange
- Wichte
- 1.56 · 1.560
- BRN
- 2242512 · 2242512
- InChI
- InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
- InChIKey
- FSWNRRSWFBXQCL-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=CC(Br)=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (60%): 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+P351+P338, P317, 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 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
Regulatory InformationBenzenemethanol, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (20%)；Skin Irrit. 2 (60%)；Eye Irrit. 2A (60%)；Acute Tox. 4 (20%)；STOT SE 3 (60%)
Regulatorische Informationen
Chemie und Industrie
Anwendungen
Verwenden3-Bromobenzyl alcohol was employed in the preparation of tert-butyl 3-(3-bromophenyl)-2-cyanopropanoate and silyl ether.
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