(1R)-1-(4-chlorophenyl)ethan-1-ol

HCID 643324CAS 75968-40-0

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Grundinformationen

Standard-SMILES: C[C@@H](O)c1ccc(Cl)cc1
InChIKey: MVOSNPUNXINWAD-ISZMHOAENA-N
Summenformel: C8H9ClO
Durchschnittliche Molmasse: 156,61 g/mol

Namen und Bezeichner

Bevorzugter Name: (1R)-1-(4-chlorophenyl)ethan-1-ol
IUPAC: (1R)-1-(4-chlorophenyl)ethanol
Englischer Name: (R)-4-CHLORO-ALPHA-METHYLBENZYL ALCOHOL
Summenformel: C8H9ClO
Molmasse: 156.61

Namen und Synonyme

75968-40-0(1R)-1-(4-chlorophenyl)ethan-1-olRefChem:392934623-134-7(R)-1-(4-Chlorophenyl)ethanol(1R)-1-(4-chlorophenyl)ethanol(R)-4-Chloro-alpha-methylbenzyl AlcoholMFCD06797295(R)-1-(4-chlorophenyl)ethan-1-ol(r)-1-(4-chlorophenyl) ethanolBAA51770(R)-4-CHLORO-ALPHA-METHYLBENZYLALCOHOL

Weitere Namen anzeigen

(R)-4-Chloro-1-phenylethanol(R)-1-(p-Chlorophenyl)ethanol(R)-4-Chloro-α-methylbenzenemeth(R)-α-Methyl-4-chlorobenzyl alcohol(R)-4-Chloro-α-methylbenzyl alcohol(R)-4-Chloro-α-methylbenzenemethanol(R)-4-Chloro-α-methylbenzyl alcohol

(R)-4-Chloro-a-methylbenzyl alcoholA9640S2276F9QQDSCHEMBL1253041SCHEMBL1759515ADA968401-(4-Chlorophenyl)ethanol, (R)-SC1272

Datenbank-Bezeichner

CAS: 75968-40-0
PubChem CID: 643324
UNII: S2276F9QQD
EC Number: 623-134-7
Nikkaji: J254.265J

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: 240.6 · 240.6±15.0 °C(Predicted)
Dichte: 1.158 g/mL · 1.158 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.544
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
pka: 14.22 · 14.22±0.20(Predicted)
InChI: InChI=1/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/s3
InChIKey: MVOSNPUNXINWAD-ISZMHOAENA-N
SMILES: C1([C@@H](C)O)C=CC(=CC=1)Cl |&1:1,r|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
hs_code: 2906290090
risk_code: 22-41-52/53
hazard_code: Xn
safety_code: 26-39-61
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(R)-4-Chloro-α-methylbenzyl alcohol can be used:As a substrate in the racemization process of secondary alcohols using ruthenium hydroxide complexes.In the synthesis of 2,3,4,9-tetrahydro-1H-carbazole as potent DP1 antagonists.As a substrate in the synthesis of chiral 3-aryl-3-substituted propanoic acids through Mitsunobu reaction.