1,4,5,6-Tetrahydrocyclopenta[c]pyrazole
Basic information
- CAS
2214-03-1- Standard SMILES
c1n[nH]c2c1CCC2- InChIKey
TUVBJSPUCMUOSD-UHFFFAOYSA-N- Molecular formula
- C6H8N2
- Average molar mass
- 108.14 g/mol
- Monoisotopic mass
- 108.06874826
Names & identifiers
- Preferred name
- 1,4,5,6-Tetrahydrocyclopenta[c]pyrazole
- IUPAC
- 1,4,5,6-tetrahydrocyclopenta[d]pyrazole
- English name
- 1,4,5,6-Tetrahydrocyclopenta[c]pyrazole
- Molecular formula
- C6H8N2
- Molecular weight
- 108.14
Names & synonyms
1,4,5,6-tetrahydrocyclopenta[c]pyrazole2214-03-11H,4H,5H,6H-Cyclopenta[c]pyrazole15409-55-92,4,5,6-tetrahydrocyclopenta[c]pyrazoleCyclopentapyrazole, 2,4,5,6-tetrahydro-MFCD05663424SCHEMBL400139AKOS002675850AKOS005143091CS-W000731AB21809
Show more names
1,4,5,6-Tetrahydro-cyclopentapyrazole1,4,5,6-Tetrahydrocyclopenta[c]pyrazole HCl1,4,5,6-tetrahydrocyclopentadiene with [C]pyrazole1,4,5,6-Tetrahydrocyclopenta[c]pyrazole hydrochloride1,4,5,6-tetrahydrocyclopenta[c]pyrazole(SALTDATA: 0.8HCl)
AS-39376SY017715Z1198165735cyclopenta[c]pyrazole, 2,4,5,6-tetrahydro-, hydrochloride4,5,6-trihydrocyclopenta[2,1-d]pyrazole2,4,5,6-tetrahydrocyclopenta[c]pyrazole hydrochlorideNSC1953342,4,5,6-tetrahydrocyclopentapyrazole
Database identifiers
- CAS
2214-03-1- PubChem CID
- 304265
- EC Number
- 876-038-4
- Nikkaji
- J2.130.554E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 92.5
Physicochemical properties
- Melting point
- 58 °C · 58 °C
- Boiling point
- 132 °C · 132 °C(Press: 11 Torr)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.51 · 15.51±0.20(Predicted)
- form
- solid
- color
- Yellow
- InChI
- InChI=1S/C6H8N2/c1-2-5-4-7-8-6(5)3-1/h4H,1-3H2,(H,7,8)
- InChIKey
- TUVBJSPUCMUOSD-UHFFFAOYSA-N
- SMILES
- N1=CC2CCCC=2N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HazardClass
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…