4-bromo-N'-methyl-1H-pyrrole-2-carbohydrazide
Basic information
- CAS
923676-53-3- Standard SMILES
CNNC(=O)c1cc(Br)c[nH]1- InChIKey
GETDXXVADGWYDH-UHFFFAOYSA-N- Molecular formula
- C6H8BrN3O
- Average molar mass
- 218.05 g/mol
- Monoisotopic mass
- 216.98507
Names & identifiers
- Preferred name
- 4-bromo-N'-methyl-1H-pyrrole-2-carbohydrazide
- IUPAC
- 4-bromo-N'-methyl-1H-pyrrole-2-carbohydrazide
- English name
- 4-bromo-N'-methyl-1H-pyrrole-2-carbohydrazide
- Molecular formula
- C6H8BrN3O
- Molecular weight
- 218.05
Names & synonyms
4-bromo-N'-methyl-1H-pyrrole-2-carbohydrazide923676-53-3MFCD08281823AKOS005076834CS-032583810Y-08231H-Pyrrole-2-carboxylic acid, 4-bromo-, 2-methylhydrazide
Database identifiers
- CAS
923676-53-3- PubChem CID
- 16412756
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 326.1 · 326.1±42.0 °C(Predicted)
- Density
- 1.638 · 1.638±0.06 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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