6-Chloronicotinamide

HCID 80456

Notes Reactions

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Basic information

CAS: 6271-78-9
Standard SMILES: NC(=O)c1ccc(Cl)nc1
InChIKey: ZIJAZUBWHAZHPL-UHFFFAOYSA-N
Molecular formula: C6H5ClN2O
Average molar mass: 156.57 g/mol
Monoisotopic mass: 156.00904046

Names & identifiers

Preferred name: 6-Chloronicotinamide
IUPAC: 6-chloropyridine-3-carboxamide
English name: 6-Chloronicotinamide
Molecular formula: C6H5ClN2O
Molecular weight: 156.57

Names & synonyms

6-Chloronicotinamide6271-78-93-Pyridinecarboxamide, 6-chloro-Nicotinamide, 6-chloro-6-Chloro-3-pyridinecarboxamideNSC-37821K75J71K86LEINECS 228-456-8NSC 37821AI3-52303DTXSID602117962-CHLORO-5-CARBAMOYLPYRIDINE

Show more names

6-chloroamideoronicotinamide6-Chloronicotinamide,98%6-Chloronicotinamide >6-Chloronicotinamide, 95%6-Chloropyridin-3-carboxamide2-CHLOROPYRIDINE-5-CARBOXAMIDE

RefChem:541951DTXCID90134287228-456-86-chloropyridine-3-carboxamideMFCD000062426-chloronicotinic acid amideUNII-K75J71K86LNSC37821

Database identifiers

CAS: 6271-78-9
PubChem CID: 80456
DTXSID: DTXSID60211796
UNII: K75J71K86L
EC Number: 228-456-8
Nikkaji: J234H

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 56 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 140

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 210 · 210-212 °C (lit.)
Boiling point: 331 · 331.0±27.0 °C(Predicted)
Density: 1.381 · 1.381±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 14.54 · 14.54±0.50(Predicted)
form: Crystalline Powder or Powder
color: White to pale yellow
BRN: 116043 · 116043
InChI: 1S/C6H5ClN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)
InChIKey: ZIJAZUBWHAZHPL-UHFFFAOYSA-N
SMILES: NC(=O)c1ccc(Cl)nc1
CAS DataBase Reference: 6271 · 6271-78-9(CAS DataBase Reference)
FDA UNII: 75 J71K86L · K75J71K86L
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-37/39-36/37/39-22
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.