1,5-Diazabicyclo[4.3.0]non-5-ene supplier

Name
1,5-Diazabicyclo[4.3.0]non-5-ene
EINECS 221-087-3
CAS No. 3001-72-7
Article Data14
CAS DataBase
Density 1.2 g/cm³
Solubility soluble in water
Melting Point
Formula C₇H₁₂N₂
Boiling Point 238.3 °C at 760 mmHg
Molecular Weight 124.186
Flash Point 97.9 °C
Transport Information UN 3267 8/PG 2
Appearance clear colorless to yellowish liquid
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms 1,5-Diazabicyclo[4.3.0]nonene-5;2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine;DBN (heterocycle);NBU;NSC118106;Pyrrolo[1,2-a]pyrimidine,2,3,4,6,7,8-hexahydro-;
PSA 15.60000
LogP 0.25790

1,5-Diazabicyclo[4.3.0]non-5-ene Specification

1. Introduction of 1,5-Diazabicyclo[4.3.0]non-5-ene
1,5-Diazabicyclo[4.3.0]non-5-ene is also called Pyrrolo[1,2-a]pyrimidine,2,3,4,6,7,8-hexahydro-, its IUPAC Name is 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine.

2. Properties of 1,5-Diazabicyclo[4.3.0]non-5-ene
Index of Refraction: 1.628
Molar Refractivity: 36.71 cm³
Molar Volume: 103.4 cm³
Surface Tension: 45.7 dyne/cm
Density: 1.2 g/cm³
Flash Point: 97.9 °C
Enthalpy of Vaporization: 47.52 kJ/mol
Boiling Point: 238.3 °C at 760 mmHg
Vapour Pressure: 0.0427 mmHg at 25°C

3. Structure Descriptors of 1,5-Diazabicyclo[4.3.0]non-5-ene
SMILES: N\2=C1\N(CCC1)CCC/2
InChI: InChI=1/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2
InChIKey: SGUVLZREKBPKCE-UHFFFAOYAV
Std. InChI: InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2
Std. InChIKey: SGUVLZREKBPKCE-UHFFFAOYSA-N

4. Safety Information of 1,5-Diazabicyclo[4.3.0]non-5-ene

Hazard Codes of Pyrrolo[1,2-a]pyrimidine,2,3,4,6,7,8-hexahydro- (CAS NO.3001-72-7): Corrosive C
Risk Statements: 34
R34: Causes burns.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3267 8/PG 2
WGK Germany: 3
F: 1-3-8-10
Hazard Note: Corrosive/Air Sensitive
HazardClass: 8
PackingGroup: II
HS Code: 29335995

Product Name

1,5-Diazabicyclo[4.3.0]non-5-ene

1,5-Diazabicyclo[4.3.0]non-5-ene Specification

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