Benzhydrylalkohol

Benzhydrol

HCID 7037CAS 91-01-0
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Grundinformationen

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

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
1.5727 · 1.5727 (estimate)
Flammpunkt
160 °C · 160 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

Chemical: Benzenemethanol, .alpha.-phenyl-

Status: Active Update: 27-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23791

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

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in organic syntheses; [Merck Index]
General Manufacturing InformationBenzenemethanol, .alpha.-phenyl-: ACTIVE
Anwendungen · 1 Eintrag

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

Anbieter50 Anbieter

湖北瑞凯兴科技股份有限公司0086-13795397680
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]

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