4-Chlor-α-methylbenzylalkohol

Benzenemethanol, 4-chloro-alpha-methyl-

HCID 18825CAS 3391-10-4

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Grundinformationen

Standard-SMILES: CC(O)c1ccc(Cl)cc1
InChIKey: MVOSNPUNXINWAD-UHFFFAOYSA-N
Summenformel: C8H9ClO
Durchschnittliche Molmasse: 156,61 g/mol
Monoisotopische Masse: 156,03419259

Namen und Bezeichner

Bevorzugter Name: Benzenemethanol, 4-chloro-alpha-methyl-
IUPAC: 1-(4-chlorophenyl)ethanol
Lokaler Name: 4-Chlor-α-methylbenzylalkohol
Englischer Name: 1-(4-Chlorophenyl)ethanol
Summenformel: C8H9ClO
Molmasse: 156.61

Namen und Synonyme

1-(4-Chlorophenyl)ethanol1-(P-CHLOROPHENYL)ETHANOLBenzenemethanol, 4-chloro-.alpha.-methyl-Benzenemethanol, 4-chloro-alpha-methyl-p-Chloro-alpha-methylbenzyl alcoholalpha-(p-Chlorophenyl)ethanolDTXSID60871854EINECS 222-223-4NSC 87867Benzyl alcohol, p-chloro-alpha-methyl-AI3-02463RefChem:563508

Weitere Namen anzeigen

P-CHLOROPHENYLMETHYCARBINOL1-p-Chlorophenylethyl alcohol4-Chlor-α-methylbenzylalkohol4-Chlor-α-methylbenzylalkohol4-CHLOROPHENYL METHYL CARBINOLp-Chloro-α-methylbenzyl alcohol1-(4-CHLOROPHENYL)ETHYL ALCOHOL

DTXCID40819471Benzyl alcohol, p-chloro-alpha-methyl-(8CI)3391-10-41-(4-chlorophenyl)ethan-1-ol4-Chloro-alpha-methylbenzyl alcoholMFCD000410384-ChlorophenylmethylcarbinolBenzyl alcohol, p-chloro-.alpha.-methyl-

Datenbank-Bezeichner

CAS: 3391-10-4
PubChem CID: 18825
DTXSID: DTXSID60871854
UNII: Y35SM392RP
EC Number: 222-223-4
Nikkaji: J28.523D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 97,4

Physikochemische Eigenschaften

Siedepunkt: 119 °C/10 · 119 °C/10 mmHg (lit.)
Dichte: 1.171 g/mL · 1.171 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.541(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
pka: 14.22 · 14.22±0.20(Predicted)
Wichte: 1.17 · 1.17
Farbe: Colorless to pale yellow
BRN: 2042027 · 2042027
InChI: InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey: MVOSNPUNXINWAD-UHFFFAOYSA-N
SMILES: C1(=CC=C(Cl)C=C1)C(O)C
CAS Datenbank: 3391 · 3391-10-4(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Chloro-alpha-methylbenzyl alcohol(3391-10-4)
EPA chemische Informationen: 4 · Benzenemethanol, 4-chloro-.alpha.-methyl- (3391-10-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29062990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenemethanol, 4-chloro-.alpha.-methyl-: INACTIVE

Anwendungen

Verwenden1-(4-Chlorophenyl)ethanol was used to study transfer dehydrogenation of various alcohols over heterogeneous palladium catalysts using olefins as hydrogen acceptors.