2-Chloro-N-propylnicotinamide
Basic information
- CAS
52943-23-4- Standard SMILES
CCCNC(=O)c1cccnc1Cl- InChIKey
UPOCZVXEQZKZKE-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O
- Average molar mass
- 198.65 g/mol
- Monoisotopic mass
- 198.0559907
Names & identifiers
- Preferred name
- 2-Chloro-N-propylnicotinamide
- IUPAC
- 2-chloro-N-propylpyridine-3-carboxamide
- English name
- CHEMBRDG-BB 7228272
- Molecular formula
- C9H11ClN2O
- Molecular weight
- 198.65
Names & synonyms
2-CHLORO-N-PROPYLNICOTINAMIDE52943-23-42-chloro-N-propylpyridine-3-carboxamide2-Chloro-N-n-propylnicotinamideMFCD033878202-chloro-N-propyl-pyridine-3-carboxamideDTXSID50401583CHEMBRDG-BB 7228272CCA94323STK459426AKOS000154325SB53918
Show more names
UKRORGSYN-BB BBV-039942Pafolacianine Impurity 222-Chloro-N-n-propylnicotinaMide, 97%3-Pyridinecarboxamide, 2-chloro-N-propyl-2-chloro-N-propylnicotinamide(SALTDATA: FREE)
AS-40668(2-chloro(3-pyridyl))-N-propylcarboxamideCS-0216543ST50942158EN300-50368F315374Z33030446
Database identifiers
- CAS
52943-23-4- PubChem CID
- 4286757
- DTXSID
DTXSID50401583- EC Number
- 141-182-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 351.1 · 351.1±27.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 13.54 · 13.54±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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