3-Iodo-1H-indazole-6-carbonitrile
Basic information
- CAS
906000-39-3- Standard SMILES
N#Cc1ccc2c(I)[nH]nc2c1- InChIKey
FRYOUXROKRKPQP-UHFFFAOYSA-N- Molecular formula
- C8H4IN3
- Average molar mass
- 269.04 g/mol
- Monoisotopic mass
- 268.94499
Names & identifiers
- Preferred name
- 3-Iodo-1H-indazole-6-carbonitrile
- IUPAC
- 3-iodo-2H-indazole-6-carbonitrile
- English name
- 3-iodo-1H-indazole-6-carbonitrile
- Molecular formula
- C8H4IN3
- Molecular weight
- 269.04
Names & synonyms
3-Iodo-1H-indazole-6-carbonitrileRefChem:502651813-503-2906000-39-33-iodo-2H-indazole-6-carbonitrileMFCD106968021H-INDAZOLE-6-CARBONITRILE, 3-IODO-3-Iodo-1H-indazole-6-carbonitrile, 906000-39-3, 3-Iodo-6-cyano (1H)indazole, SureCN4155921, CTK5G8162, ANW-69652, AKOS016006204, 3-IODO-INDAZOLE-6-CARBONITRILE, AB58208, AG-H-71773, RP06463, AK104041, KB-32263, Y4635, 1H-INDAZOLE-6-CARBONITRILE, 3-IODO-SCHEMBL4155921DTXSID50694599FRYOUXROKRKPQP-UHFFFAOYSA-NAB58208
Show more names
3-Iodo-6-cyano (1H)indazole
CS-0054303EN300-3168560
Database identifiers
- CAS
906000-39-3- PubChem CID
- 53399261
- DTXSID
DTXSID50694599- EC Number
- 813-503-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 446.4 · 446.4±25.0 °C(Predicted)
- Density
- 2.12 · 2.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.65 · 9.65±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HS Code
- 2933998090 · 2933998090
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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