4,5,6,7-tetrahydro-1H-indazole
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Basic information
- CAS
2305-79-5- Standard SMILES
c1n[nH]c2c1CCCC2- InChIKey
GDSQTWDUCDSZEY-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439832
Names & identifiers
- Preferred name
- 4,5,6,7-tetrahydro-1H-indazole
- IUPAC
- 4,5,6,7-tetrahydro-1H-indazole
- English name
- 4,5,6,7-TETRAHYDROINDAZOLE
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
4,5,6,7-Tetrahydro-1H-indazole2305-79-5EINECS 218-977-9DTXSID50177615NSC 195333RefChem:507543DTXCID10100106218-977-94,5,6,7-Tetrahydroindazole1H-Indazole, 4,5,6,7-tetrahydro-4,5,6,7-tetrahydro-2H-indazoleMFCD00014565
Show more names
TLC3379-0301aluminum(3+)4,5,6,7-tetrahydrogen-1H-azole4,5,6,7-Tetrahydroindazole 98%
1H-4,5,6,7-tetrahydroindazole3,4-Tetramethylenepyrazole4,6,7-TetrahydroindazoleSCHEMBL105094 5 6 7 Tetrahydroindazole2H-indazole, 4,5,6,7-tetrahydro-F3379-0301NSC-195333
Database identifiers
- CAS
2305-79-5- PubChem CID
- 75317
- DTXSID
DTXSID50177615- ChEMBL
CHEMBL1817866- UNII
- DMK7V56VG7
- EC Number
- 218-977-9
- Nikkaji
- J108.828I、J47.415K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 83 · 83-85 °C (lit.)
- Boiling point
- 140 · 140-142°C 2mm
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- Flash point
- 140 · 140-142°C/2mm
- storage temp.
- 2 · 2-8°C
- pka
- 15.32 · 15.32±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- BRN
- 2420 · 2420
- InChI
- 1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)
- InChIKey
- GDSQTWDUCDSZEY-UHFFFAOYSA-N
- SMILES
- C1CCc2[nH]ncc2C1
- CAS DataBase Reference
- 2305 · 2305-79-5
- FDA UNII
- 7 V56VG7 · DMK7V56VG7
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Related reactions
6 records
Compound notes
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