(R)-(+)-3-Chlorostyrene oxide
Grundinformationen
- CAS
62600-71-9- Standard-SMILES
Clc1cccc([C@@H]2CO2)c1- InChIKey
YVMKRPGFBQGEBF-QMMMGPOBSA-N- Summenformel
- C8H7ClO
- Durchschnittliche Molmasse
- 154,59 g/mol
- Monoisotopische Masse
- 154,0185425
Namen und Bezeichner
- Bevorzugter Name
- (R)-(+)-3-Chlorostyrene oxide
- IUPAC
- (2R)-2-(3-chlorophenyl)oxirane
- Englischer Name
- (R)-3-Chlorostyrene oxide
- Summenformel
- C8H7ClO
- Molmasse
- 154.59
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
62600-71-9- PubChem CID
- 10898919
- DTXSID
DTXSID301335382- EC Number
- 613-060-3
- Nikkaji
- J918.458I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 12,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 126
Physikochemische Eigenschaften
- Schmelzpunkt
- 54 · 54-56 °C
- Siedepunkt
- 67 · 67-68 °C1 mm Hg(lit.)
- Dichte
- 1.217 g/mL · 1.217 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.551
- Flammpunkt
- 207 °F · 207 °F
- storage temp.
- Store under Nitrogen
- Aggregatzustand
- liquid
- BRN
- 3588590 · 3588590
- InChI
- 1S/C8H7ClO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1
- InChIKey
- YVMKRPGFBQGEBF-QMMMGPOBSA-N
- SMILES
- Clc1cccc(c1)[C@@H]2CO2
- CAS Datenbank
- 62600 · 62600-71-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (72.7%): Toxic if swallowed [Danger Acute toxicity, oral];H314 (72.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (27.3%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (72.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (27.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (27.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (72.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H411 (72.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 143 reports by companies from 3 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
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- hs_code
- 2932990090
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden(R)-(+)-3-Chlorostyrene oxide may be used as an intermediate for the synthesis of 4-aminopiperidine based human β3-adrenergic receptor (AR) agonists.
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