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3001-72-7

Basic Information
CAS No.: 3001-72-7
Name: 1,5-Diazabicyclo[4.3.0]non-5-ene
Article Data: 14
Cas Database
Molecular Structure:
Molecular Structure of 3001-72-7 (1,5-Diazabicyclo[4.3.0]non-5-ene)
Formula: C7H12N2
Molecular Weight: 124.186
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-;
EINECS: 221-087-3
Density: 1.2 g/cm3
Melting Point: N/A
Boiling Point: 238.3 °C at 760 mmHg
Flash Point: 97.9 °C
Solubility: soluble in water
Appearance: clear colorless to yellowish liquid
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45
Transport Information: UN 3267 8/PG 2
PSA: 15.60000
LogP: 0.25790
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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): CorrosiveC
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

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