Benzhydrylalkohol
Benzhydrol
Grundinformationen
- CAS
91-01-0- Standard-SMILES
OC(c1ccccc1)c1ccccc1- InChIKey
QILSFLSDHQAZET-UHFFFAOYSA-N- Summenformel
- C13H12O
- Durchschnittliche Molmasse
- 184,23 g/mol
- Monoisotopische Masse
- 184,088815
Überblick
Diphenylmethanol is a secondary alcohol that is diphenylmethane which carries a hydroxy group at position 1. It has a role as a human xenobiotic metabolite, a bacterial xenobiotic metabolite, a human urinary metabolite and a rat metabolite. It is a member of benzyl alcohols and a secondary alcohol. It derives from a hydride of a diphenylmethane.
Namen und Bezeichner
- Bevorzugter Name
- Benzhydrol
- IUPAC
- diphenylmethanol
- Lokaler Name
- Benzhydrylalkohol
- Englischer Name
- Benzhydrol
- Summenformel
- C13H12O
- Molmasse
- 184.24
Namen und Synonyme
DiphenylmethanolBENZHYDROL91-01-0DiphenylcarbinolBenzohydrolHydroxydiphenylmethaneDiphenyl carbinolDiphenylmethyl alcoholalpha-PhenylbenzenemethanolBenzenemethanol, alpha-phenyl-S4HQ1H8OWDDTXSID2059015
Weitere Namen anzeigen
benzydrolNSC 32150BNEZHYDROLBenzhydrol >
CHEBI:156087NSC-32150RefChem:565239DTXCID6048707202-033-8Benzhydryl alcoholBenzenemethanol, .alpha.-phenyl-diphenyl methanol
Datenbank-Bezeichner
- CAS
91-01-0- PubChem CID
- 7037
- DTXSID
DTXSID2059015- ChEMBL
CHEMBL2386190- ChEBI
CHEBI:156087- UNII
- S4HQ1H8OWD
- EC Number
- 202-033-8
- Nikkaji
- J3.920I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 137
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.67
Vapor Pressure0.0000273 [mmHg]
Physical DescriptionSolid; [Merck Index] White crystalline powder; Odorless; [Alfa Aesar MSDS]
Collision Cross Section130.01 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 65 · 65-67 °C (lit.)
- Siedepunkt
- 297 · 297-298 °C (lit.)
- Dichte
- 1.012 · 1.0120 (rough estimate)
- Dampfdruck
- 0.000076 hPa · 0.000076 hPa (20 °C)
- Brechungsindex
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
Warning
H315 (81.5%): Causes skin irritation [Warning Skin corrosion/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 65 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanol, .alpha.-phenyl-
REACH registered substance: Benzhydryl alcohol (EC: 202-033-8)
Benzenemethanol, .alpha.-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Chlorodiphenylmethane.
Hazard Classes and CategoriesSkin Irrit. 2 (81.5%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29062900
- RTECS-Nr.
- DC7452000
- risk_code
- 36/37/38
- Toxizität
- LD50 orally in Rabbit: 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
Chemie und Industrie
Verwendung und Herstellung
UsesUsed in organic syntheses; [Merck Index]
General Manufacturing InformationBenzenemethanol, .alpha.-phenyl-: ACTIVE
Anwendungen
VerwendenBenzhydrols are industrially important compounds. On oxidation Benzhydrols yields Benzophenone, which are useful synthones for fullerenes, bioactive oxygen heterocycles, dyes and medicines. Various Cr (VI) and other oxidizing agents are used for oxidizing benzhydrol. Benzhydrol is widely used as intermediates in pharmaceuticals (including antihistamines), agrochemicals, perfumes and other organic compounds. It is used as a fixative in the perfume industry. It is involved in polymerization reaction as a terminating group. It is used as precursor to prepare modafinil, benztropine and diphehydramine. Intermediate in the preparation of Modafinil (M482500).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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