(1R)-3-chloro-1-phenylpropan-1-ol
Grundinformationen
- CAS
100306-33-0- Standard-SMILES
O[C@H](CCCl)c1ccccc1- InChIKey
JZFUHAGLMZWKTF-SECBINFHSA-N- Summenformel
- C9H11ClO
- Durchschnittliche Molmasse
- 170,63 g/mol
- Monoisotopische Masse
- 170,0498427
Namen und Bezeichner
- Bevorzugter Name
- (1R)-3-chloro-1-phenylpropan-1-ol
- IUPAC
- (1R)-3-chloro-1-phenylpropan-1-ol
- Englischer Name
- (1R)-3-Chloro-1-phenyl-propan-1-ol
- Summenformel
- C9H11ClO
- Molmasse
- 170.64
Namen und Synonyme
100306-33-0(1R)-3-chloro-1-phenylpropan-1-olDTXSID503490174GCY8M2PYDRefChem:68322DTXCID70300089627-168-3(R)-3-chloro-1-phenylpropan-1-ol(R)-(+)-3-Chloro-1-phenyl-1-propanol(1R)-3-Chloro-1-phenyl-propan-1-ol(R)-3-Chloro-1-phenyl-1-propanolMFCD00075128
Weitere Namen anzeigen
3-CHLORO-1-PHENYLPROPAN-1-OL(1R)-3-ChloroDapaxetine Inter.Dapoxetine Impurity M(R)-(+)-3-CHLORO-1-PHENYL-1-PRR(+)-3-CHLORO-1-PHENYLPROPANOLα-(2-chloroethyl)benzyl alcohol(+)-3-Chloro-1-phenyl-1-propanol(R)-3-CHLORO-1-PHENYL-PROPAN-1-OL
(R)-3-Chloro-1-phenylpropanol(R)-(+)-3-Chloro-1-phenylpropanolBenzenemethanol, alpha-(2-chloroethyl)-, (alphaR)-AKOS015888236DB06934(R)-(+)-3-Chloro-1-phenyl-1-propanol, 98%[R]-3-chloro-1-phenylpropanol(1R)-3-chloro-1-phenyl-1-propanol
Datenbank-Bezeichner
- CAS
100306-33-0- PubChem CID
- 642409
- DTXSID
DTXSID50349017- UNII
- 4GCY8M2PYD
- EC Number
- 627-168-3
- Nikkaji
- J1.172.934G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 99
Physikochemische Eigenschaften
- Schmelzpunkt
- 58 · 58-60 °C (lit.)
- Siedepunkt
- 296.4 · 296.4±20.0 °C(Predicted)
- Dichte
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.92 · 13.92±0.20(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White to yellow
- BRN
- 5250766 · 5250766
- InChI
- InChI=1/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/s3
- InChIKey
- JZFUHAGLMZWKTF-SECBINFHSA-N
- SMILES
- [C@@H](C1C=CC=CC=1)(O)CCCl |&1:0,r|
- CAS Datenbank
- 100306 · 100306-33-0(CAS DataBase Reference)
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 42 reports by companies from 5 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenIntermediate in the preparation of (S)-Norfluoxetine
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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