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Thermo Scientific Alfa Aesar 1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%, Thermo Scientific Chemicals


Overview
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Additional Details:
Additional Details: CAS Number: 6674-22-2 Weight: 0.02500kg Transport: UN number : 2922 Chem class : 8 Pack group : II


Quantity 25 g

Disclaimers: RUO – Research Use Only

Product Code. 11479673

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  • Description and Specification
  • Alternative Products
  • Documentation
  • Safety and Handling
Description and Specification

Chemical Identifiers

CAS 6674-22-2
Molecular Formula C9H16N2
Molecular Weight (g/mol) 152.241
MDL Number MFCD00006930
InChI Key GQHTUMJGOHRCHB-UHFFFAOYSA-N
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
PubChem CID 81184
IUPAC Name 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILES C1CCC2=NCCCN2CC1

Specification

Chemical Name or Material 1,8-Diazabicyclo[5.4.0]undec-7-ene
CAS 6674-22-2
Melting Point -70°C
Density 1.02
pH 12.8
Boiling Point 261°C
Flash Point 116°C (240°F)
Odor Amine-like
Molecular Formula C9H16N2
Refractive Index 1.522
MDL Number MFCD00006930
Quantity 25 g
UN Number UN3267
Beilstein 508906
Sensitivity Air Sensitive
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Synonym 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Solubility Information Miscible with water.
InChI Key GQHTUMJGOHRCHB-UHFFFAOYSA-N
SMILES C1CCC2=NCCCN2CC1
IUPAC Name 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Molecular Weight (g/mol) 152.241
PubChem CID 81184
Formula Weight 152.24
Percent Purity 99%

Applications
1,8-Diazabicyclo[5.4.0]undec-7-ene is used in organic synthesis as a catalyst, a complexing ligand, and a non-nucleophilic base. It is used as a protecting agent for the synthesis of cephalosporin and as a catalyst for polyurethane.

Solubility
Miscible with water.

Notes
Incompatible with acids, strong oxidizing agents, acid anhydrides, acid chlorides and chloroformates.

Alternative Products
Documentation

Technical documents

Safety and Handling

[1,8-Diazabicyclo[5.4.0]undec-7-ene]

[Danger]

[{code=ACUTE TOX. 3, sequence=1, description=Acute toxicity Category 3}, {code=EYE DAM. 1, sequence=2, description=Serious eye damage/eye irritation Category 1}, {code=SKIN CORR. 1B, sequence=3, description=Skin corrosion/irritation Category 1 B}]

[{code=H301, sequence=1, description=Toxic if swallowed.}, {code=H314, sequence=2, description=Causes severe skin burns and eye damage.}, {code=H318, sequence=3, description=Causes serious eye damage.}]

[{code=P280, sequence=51, description=Wear protective gloves/protective clothing/eye protection/face protection.}, {code=P301+P330+P331, sequence=52, description=IF SWALLOWED: rinse mouth. Do NOT induce vomiting.}, {code=P303+P361+P353, sequence=53, description=IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/ shower.}, {code=P305+P351+P338, sequence=54, description=IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.}, {code=P310, sequence=55, description=Immediately call a POISON CENTER/doctor/.}]

[{code=MIXTURE LIST, sequence=1, description=Contains : 2,3,4,6,7,8,9,10-octahydro-pyrimido[1,2-a]azepine}]

[{code=GHS05, sequence=1, description=CORROSION}, {code=GHS06, sequence=2, description=SKULL & CROSSBONES}]


Product Identifier
  • 1,8-Diazabicyclo[5.4.0]undec-7-ene

Signal Word
  • Danger

Hazard Category
  • Acute toxicity Category 3
  • Serious eye damage/eye irritation Category 1
  • Skin corrosion/irritation Category 1 B

Hazard Statement
  • H301- Toxic if swallowed.
  • H314- Causes severe skin burns and eye damage.
  • H318- Causes serious eye damage.

Precautionary Statement
  • P280- Wear protective gloves/protective clothing/eye protection/face protection.
  • P301+P330+P331- IF SWALLOWED: rinse mouth. Do NOT induce vomiting.
  • P303+P361+P353- IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/ shower.
  • P305+P351+P338- IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P310- Immediately call a POISON CENTER/doctor/.

Supplemental Information
  • MIXTURE LIST- Contains : 2,3,4,6,7,8,9,10-octahydro-pyrimido[1,2-a]azepine