2'-Hydroxybenzophenone

HCID 8348CAS 117-99-7
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Grundinformationen

Standard-SMILES
O=C(c1ccccc1)c1ccccc1O
InChIKey
HJIAMFHSAAEUKR-UHFFFAOYSA-N
Summenformel
C13H10O2
Durchschnittliche Molmasse
198,22 g/mol
Monoisotopische Masse
198,06807956

Namen und Bezeichner

Bevorzugter Name
2'-Hydroxybenzophenone
IUPAC
(2-hydroxyphenyl)-phenylmethanone
Englischer Name
2-Hydroxybenzophenone
Summenformel
C13H10O2
Molmasse
198.22

Namen und Synonyme

2-Hydroxybenzophenone117-99-7o-Benzoylphenol2-BenzoylphenolO-HYDROXYBENZOPHENONEMethanone, (2-hydroxyphenyl)phenyl-Benzophenone, 2-hydroxy-2'-HydroxybenzophenonePhenyl 2-Hydroxyphenyl ketone(2-Hydroxyphenyl)phenylmethanoneDTXSID5047879NSC 623
Weitere Namen anzeigen
Hydroxybenzophenone2-Chloro-4’4-Chloro-4’3-Chloro-4’4-Hydroxy-4’-methoxybenzophenone
NSC-623EINECS 204-226-2DTXCID5027855O-HYDROXYPHENYL PHENYL KETONEoBenzoylphenoloHydroxybenzophenoneBenzophenone, 2hydroxyRefChem:439684

Datenbank-Bezeichner

CAS
117-99-7
PubChem CID
8348
DTXSID
DTXSID5047879
ChEMBL
CHEMBL24743
UNII
LQV22W4V05
EC Number
204-226-2
Nikkaji
J102.213J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.00001 [mmHg]
Physical DescriptionPowder; mp = 37-39 deg C; [Alfa Aesar MSDS]
Collision Cross Section143.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5047879]

Physikochemische Eigenschaften

Schmelzpunkt
37 · 37-39 °C (lit.)
Siedepunkt
171 · 171-173 °C/12 mmHg (lit.)
Dichte
1.1184 · 1.1184 (rough estimate)
Brechungsindex
1.5954 · 1.5954 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
2 · Sealed in dry,2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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

Regulatory Information · 2 Einträge

Chemical: Methanone, (2-hydroxyphenyl)phenyl-

Methanone, (2-hydroxyphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.7%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Methanone, (2-hydroxyphenyl)phenyl-

Methanone, (2-hydroxyphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29145000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39-36

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationMethanone, (2-hydroxyphenyl)phenyl-: ACTIVE

Anwendungen

Verwenden2-Hydroxybenzophenone was used to quantify the metabolites of unmethylated extracts from the supernatants of Pseudomonas acidovorans cultures grown on 1,1-diphenylethylene.

Darstellung · 1 Eintrag

synthetischePreparation by Friedel–Crafts acylation of benzene in the presence of aluminium chloride, with 2-hydroxybenzoyl chloride (salicylic acid chloride), (52%), (39%), at temperature with o-anisoyl chloride. Demethylation occurred during the Friedel–Crafts acylation, especially in the presence of ferric chloride at 130–140°; with 2-ethoxybenzoyl chloride in a boiling water bath (42%).

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