2,5-Dichloronicotinamide
Basic information
- CAS
75291-86-0- Standard SMILES
NC(=O)c1cc(Cl)cnc1Cl- InChIKey
ZFKLQPMSJKTZDR-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2N2O
- Average molar mass
- 191.01 g/mol
- Monoisotopic mass
- 189.9700681
Names & identifiers
- Preferred name
- 2,5-Dichloronicotinamide
- IUPAC
- 2,5-dichloropyridine-3-carboxamide
- English name
- 2,5-Dichloronicotinamide
- Molecular formula
- C6H4Cl2N2O
- Molecular weight
- 191.01
Names & synonyms
2,5-Dichloronicotinamide75291-86-0DTXSID30384128RefChem:247377DTXCID50335152894-175-82,5-dichloropyridine-3-carboxamideMFCD002041593-Pyridinecarboxamide, 2,5-dichloro-SCHEMBL4016084SCHEMBL303702362,5-DICHLORONICOTINIAMIDE
Show more names
BUTTPARK 92\50-98Pafolacianine Impurity 142,5-Dichloronicotinate amide2,5-Dichloronicotinamide ISO 9001：2015 REACH2,5-Dichloropyridine-3-carboxamide, 3-Carbamoyl-2,5-dichloropyridine
ZFKLQPMSJKTZDR-UHFFFAOYSA-NCL0016SBB055703AKOS005071664AE-0764CS-W002511SB52826AC-23261
Database identifiers
- CAS
75291-86-0- PubChem CID
- 2799992
- DTXSID
DTXSID30384128- EC Number
- 894-175-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- powder
- color
- White
- InChI
- InChI=1S/C6H4Cl2N2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11)
- InChIKey
- ZFKLQPMSJKTZDR-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(Cl)C=C1C(N)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2,5-Dichloronicotinamide is a pharmaceutical intermediate that can be obtained by first preparing 2,5-dichloronicotinic acid into 2,5-dichloronicotinyl chloride, and then acylation with amino acids. Literature reports its use in the preparation of the pesticide intermediate 2,5-dichloro-3-fluoropyridine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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