Grundinformationen
- Standard-SMILES
CC(=O)c1cccc(CBr)c1- InChIKey
TZVOWUZAOVUUBP-UHFFFAOYSA-N- Summenformel
- C9H9BrO
- Durchschnittliche Molmasse
- 213,07 g/mol
- Monoisotopische Masse
- 211,98368
Namen und Bezeichner
- Bevorzugter Name
- 1-(3-(Bromomethyl)phenyl)ethan-1-one
- IUPAC
- 1-[3-(bromomethyl)phenyl]ethanone
Namen und Synonyme
75369-41-41-[3-(Bromomethyl)phenyl]ethan-1-one1-(3-(Bromomethyl)phenyl)ethan-1-oneRefChem:423112817-752-81-(3-Bromomethyl-phenyl)-ethanone1-[3-(bromomethyl)phenyl]ethanoneEthanone, 1-[3-(bromomethyl)phenyl]-1-(3-(bromomethyl)phenyl)ethanoneMFCD222098723-acetylbenzyl bromide3'-Bromomethylacetophenone
Weitere Namen anzeigen
SCHEMBL599749TZVOWUZAOVUUBP-UHFFFAOYSA-NADA36941-1(3-Bromomethyl-Phenyl)-EthanoneBS-41889DS-019858CS-0038988EN300-100792
Datenbank-Bezeichner
- CAS
75369-41-4- PubChem CID
- 15479807
- EC Number
- 817-752-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 144
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
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