5-Cyclohexyl-2h-tetrazole
Basic information
- CAS
6280-34-8- Standard SMILES
C1CCC(c2nn[nH]n2)CC1- InChIKey
KIHDBKOCKDPBTR-UHFFFAOYSA-N- Molecular formula
- C7H12N4
- Average molar mass
- 152.2 g/mol
- Monoisotopic mass
- 152.1061964
Names & identifiers
- Preferred name
- 5-Cyclohexyl-2h-tetrazole
- IUPAC
- 5-cyclohexyl-2H-tetrazole
- English name
- 5-cyclohexyl-1H-1,2,3,4-tetrazole
- Molecular formula
- C7H12N4
- Molecular weight
- 152.2
Names & synonyms
6280-34-85-cyclohexyl-2h-tetrazoleDTXSID60279038RefChem:302732DTXCID102301945-cyclohexyl-1H-1,2,3,4-tetrazole5-CYCLOHEXYL-2H-1,2,3,4-TETRAZOLE5-cyclohexyl-1H-tetrazoleNSC11115SCHEMBL1414192SCHEMBL2704429SCHEMBL7845312
Show more names
2H-Tetrazole, 5-cyclohexyl-
SCHEMBL8165882SCHEMBL8165884SCHEMBL13783347GAA28034NSC-11115AKOS000263150EN300-119793G42363
Database identifiers
- CAS
6280-34-8- PubChem CID
- 223448
- DTXSID
DTXSID60279038- EC Number
- 156-823-1
- Nikkaji
- J2.410.787F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 130.4 · 130.4-132.4 °C
- Boiling point
- 311 · 311.0±25.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- pka
- 5.04 · 5.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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