1-Propanol, 3-chloro-, acetate
Grundinformationen
- CAS
628-09-1- Standard-SMILES
CC(=O)OCCCCl- InChIKey
KPOHQIPNNIMWRL-UHFFFAOYSA-N- Summenformel
- C5H9ClO2
- Durchschnittliche Molmasse
- 136,58 g/mol
- Monoisotopische Masse
- 136,0291072
Namen und Bezeichner
- Bevorzugter Name
- 1-Propanol, 3-chloro-, acetate
- IUPAC
- 3-chloropropyl acetate
- Englischer Name
- 3-Chloropropyl acetate
- Summenformel
- C5H9ClO2
- Molmasse
- 136.58
Namen und Synonyme
3-Chloropropyl acetate628-09-11-PROPANOL, 3-CHLORO-, ACETATEBRN 1745110DTXSID802118794-02-00-00140 (Beilstein Handbook Reference)RefChem:77159DTXCID60134370613-086-5KPOHQIPNNIMWRL-UHFFFAOYSA-N3-Chloropropanol acetateacetic acid 3-chloro-propyl ester
Weitere Namen anzeigen
-Chloropropylacetate3-chloropropanolacetateLactic acid impurity 743-Chloropropylacetate,98%3-chloro-1-propanoacetateAcetate-3-propyl chloride
3-CHLORO-PROPYL ACETATE3-Chlorprop-1-ylacetat3-Chlorprop-1-ylacetat [German]1-acetoxy-3-chloropropane.gamma.-Chloropropyl acetateMFCD00001000gamma-Chloropropyl acetate3-CHLOROPROPYLACETATE
Datenbank-Bezeichner
- CAS
628-09-1- PubChem CID
- 12334
- DTXSID
DTXSID80211879- EC Number
- 613-086-5
- Nikkaji
- J95.378D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 72
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
902；916；895；902；916；924；922
1414；1418；1419；1425
Physikochemische Eigenschaften
- Siedepunkt
- 80 · 80-81 °C/30 mmHg (lit.)
- Dichte
- 1.111 g/mL · 1.111 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.429(lit.)
- Flammpunkt
- 154 °F · 154 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, DMSO (Slightly), Hexanes (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- Wasserlöslichkeit
- Soluble in water (partly).
- InChI
- InChI=1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3
- InChIKey
- KPOHQIPNNIMWRL-UHFFFAOYSA-N
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 (100%): 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 43 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 2
- hs_code
- 29153900
- RTECS-Nr.
- UA8944000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden3-Chloropropyl acetate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agro chemicals, dyestuff.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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