Grundinformationen
- Standard-SMILES
C1=CCNCC1- InChIKey
FTAHXMZRJCZXDL-UHFFFAOYSA-N- Summenformel
- C5H9N
- Durchschnittliche Molmasse
- 83,13 g/mol
- Monoisotopische Masse
- 83,07349929
Überblick
1,2,3,6-tetrahydropyridine appears as a colorless liquid. Insoluble in water. Floats on water. Vapors heavier than air. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- 1,2,3,6-Tetrahydropyridine
- IUPAC
- 1,2,3,6-tetrahydropyridine
- Lokaler Name
- 1,2,3,6-Tetrahydropyridin
- Englischer Name
- 1,2,3,6-TETRAHYDROPYRIDINE
- Summenformel
- C5H9N
- Molmasse
- 83.13
Namen und Synonyme
1,2,3,6-Tetrahydropyridine694-05-3Pyridine, 1,2,3,6-tetrahydro-3-piperideinedelta3-PiperidineDelta(3)-piperideine.DELTA.3-PiperidineUNII-26RLS9D25526RLS9D255EINECS 211-766-2NSC 65443NSC-65443
Weitere Namen anzeigen
3,6-Dihydro-2H-pyridine1,2,5,6 TETRAHYDROPYRIDINE1,2,3,6-Tetrahydropyridine,98%1,2,3,6-Tetrahydropyridine 97%1,2,3,6-TETRAHYDROPYRIDINE ISO 9001：2015 REACH
UN2410.delta.(sup 3)-PiperidineDTXSID0075289CHEBI:47860Pyridine, 1,2,5,6-tetrahydro-UN 2410delta3PiperidineRefChem:71367
Datenbank-Bezeichner
- CAS
694-05-3- PubChem CID
- 12750
- DTXSID
DTXSID0075289- ChEBI
CHEBI:47860- UNII
- 26RLS9D255
- EC Number
- 211-766-2
- Nikkaji
- J66.610F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 57
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Nitrogen Compounds -> Pyridines
Flammable agents - 2nd degree
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density0.911 @25 °C
Flash Point43 °C
Boiling Point108 °C @760 [mm Hg]
Melting Point-48 °C
Physical Description
1,2,3,6-tetrahydropyridine appears as a colorless liquid. Insoluble in water. Floats on water. Vapors heavier than air. Used to make other chemicals.
Colorless liquid; [CAMEO]
Physikochemische Eigenschaften
- Schmelzpunkt
- 48 °C · −48 °C(lit.)
- Siedepunkt
- 108 °C · 108 °C(lit.)
- Dichte
- 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.48(lit.)
- Flammpunkt
- 61 °F · 61 °F
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Powder
- pka
- 10.22 · 10.22±0.10(Predicted)
- Farbe
- White to pale yellow-cream
- Stabilität
- Light Sensitive
- InChI
- 1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2
- InChIKey
- FTAHXMZRJCZXDL-UHFFFAOYSA-N
- SMILES
- C1CC=CCN1
- CAS Datenbank
- 694 · 694-05-3(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · Pyridine, 1,2,3,6-tetrahydro- (694-05-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (97.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards SummaryMay cause irritation or burns to skin and eyes; [CAMEO] An irritant; May be harmful if ingested, absorbed through skin, or inhaled; [MSDSonline] See Pyridine.
DOT ID and Guide2410 129
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile
1,2,3,6-TETRAHYDROPYRIDINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
DOT Hazard Classification
1,2,3,6-Tetrahydropyridine
UN2410
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (97.6%)
Flammable agents - 2nd degree
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2410
- hs_code
- 29333999
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- hazard_note
- Irritant/Highly Flammable
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make other chemicals; [CAMEO]
Anwendungen
VerwendenOrganic intermediate.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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