3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile
Basic information
- CAS
1007518-24-2- Standard SMILES
N#CCCn1cc(Br)cn1- InChIKey
HXHGHKZQUZNBOG-UHFFFAOYSA-N- Molecular formula
- C6H6BrN3
- Average molar mass
- 200.04 g/mol
- Monoisotopic mass
- 198.97451
Names & identifiers
- Preferred name
- 3-(4-Bromo-1H-pyrazol-1-yl)propanenitrile
- IUPAC
- 3-(4-bromopyrazol-1-yl)propanenitrile
- English name
- 3-(4-bromo-1H-pyrazol-1-yl)propanenitrile(SALTDATA: FREE)
- Molecular formula
- C6H6BrN3
- Molecular weight
- 200.04
Names & synonyms
3-(4-bromo-1H-pyrazol-1-yl)propanenitrile1007518-24-2DTXSID00629699RefChem:274373DTXCID405804523-(4-bromopyrazol-1-yl)propanenitrileMFCD08701108SCHEMBL19976137ALBB-004623STK503257AKOS002657079LS-01721
Show more names
1H-Pyrazole-1-propanenitrile, 4-bromo-3-(4-bromo-1H-pyrazol-1-yl)propanenitrile(SALTDATA3-(4-bromo-1H-pyrazol-1-yl)propanenitrile(SALTDATA: FREE)
DB-113171CS-0308631E72078EN300-1260919F307333F8882-3806
Database identifiers
- CAS
1007518-24-2- PubChem CID
- 23006136
- DTXSID
DTXSID00629699- EC Number
- 984-150-0
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 150
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)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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