2-Amino-6-chloronicotinamide
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Basic information
- CAS
64321-24-0- Standard SMILES
NC(=O)c1ccc(Cl)nc1N- InChIKey
RZXHKUYBBAQDGZ-UHFFFAOYSA-N- Molecular formula
- C6H6ClN3O
- Average molar mass
- 171.58 g/mol
- Monoisotopic mass
- 171.0199395
Names & identifiers
- Preferred name
- 2-Amino-6-chloronicotinamide
- IUPAC
- 2-amino-6-chloropyridine-3-carboxamide
- English name
- 2-Amino-6-chloronicotinamide
- Molecular formula
- C6H6ClN3O
- Molecular weight
- 171.58
Names & synonyms
2-Amino-6-chloronicotinamideRefChem:464746892-138-064321-24-02-amino-6-chloropyridine-3-carboxamide3-Pyridinecarboxamide, 2-amino-6-chloro-MFCD120244352-amino-6-chloro-3-pyridinecarboxamideSCHEMBL392559DTXSID00626865CS-B02362-amino-6-chloro-pyridine-3-carboxamide
Show more names
100007Pafolacianine Impurity 232-Amino-6-chloropyridin-3-carboxamide
SCHEMBL30664846STL5555BBL101756AKOS007930915AB65210DS-15590SY020934DB-073485
Database identifiers
- CAS
64321-24-0- PubChem CID
- 22607643
- DTXSID
DTXSID00626865- EC Number
- 892-138-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 334.8 · 334.8±42.0 °C(Predicted)
- Density
- 1.484 · 1.484
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 14.31 · 14.31±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H6ClN3O/c7-4-2-1-3(6(9)11)5(8)10-4/h1-2H,(H2,8,10)(H2,9,11)
- InChIKey
- RZXHKUYBBAQDGZ-UHFFFAOYSA-N
- SMILES
- C1(N)=NC(Cl)=CC=C1C(N)=O
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 319 · H319-H410-H372
- Precautionary statements
- 273 · P273-P305+P351+P338
- 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
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)
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
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- Hazard statements
- H319-H410-H372
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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