Grundinformationen
- Standard-SMILES
O=CC(=O)c1ccccc1- InChIKey
OJUGVDODNPJEEC-UHFFFAOYSA-N- Summenformel
- C8H6O2
- Durchschnittliche Molmasse
- 134,13 g/mol
- Monoisotopische Masse
- 134,03677943
Namen und Bezeichner
- Bevorzugter Name
- Phenylglyoxal
- IUPAC
- 2-oxo-2-phenylacetaldehyde
- Lokaler Name
- Benzoylformaldehyd
- Englischer Name
- Phenylglyoxal
- Summenformel
- C8H6O2
- Molmasse
- 134.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1074-12-0- PubChem CID
- 14090
- DTXSID
DTXSID8025888- ChEMBL
CHEMBL233632- ChEBI
CHEBI:88868- UNII
- N45G3015PA
- EC Number
- 214-036-1
- Nikkaji
- J95.649J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 134
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 °C · ~76 °C
- Siedepunkt
- 142 °C/125mmHg · 142°C/125mmHg
- Dichte
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- BRN
- 1854721 · 1854721
- InChI
- InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
- InChIKey
- OJUGVDODNPJEEC-UHFFFAOYSA-N
- SMILES
- C1(=CC=CC=C1)C(=O)C=O
- CAS Datenbank
- 1074 · 1074-12-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): 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, 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 41 reports by companies from 4 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
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29122900
- RTECS-Nr.
- MD3260000
- risk_code
- 22-36/37/38-41
- hazard_code
- Xn
- safety_code
- 22-26-36-39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
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