2,6-Dichloro-4-(trifluoromethyl)nicotinamide

HCID 2736874CAS 158063-67-3

Substructure search Find similar structures

Basic information

Standard SMILES: NC(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl
InChIKey: KPMYDDLYJBPUEY-UHFFFAOYSA-N
Molecular formula: C7H3Cl2F3N2O
Average molar mass: 259.01 g/mol
Monoisotopic mass: 257.95745274

Names & identifiers

Preferred name: 2,6-Dichloro-4-(trifluoromethyl)nicotinamide
IUPAC: 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide
English name: 2,6-DICHLORO-4-(TRIFLUOROMETHYL)NICOTINAMIDE
Molecular formula: C7H3Cl2F3N2O
Molecular weight: 259.01

Names & synonyms

2,6-dichloro-4-(trifluoromethyl)nicotinamide158063-67-3DTXSID20371668RefChem:445402DTXCID30322702692-327-62,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamideMFCD00173903C7H3Cl2F3N2O3-Pyridinecarboxamide, 2,6-dichloro-4-(trifluoromethyl)-2,6-dichloro-4-(trifluoromethyl)nicotinamide 97%SCHEMBL565623

Show more names

Nicotinamide Impurity 562,6-chloro-4-trifluoromethylamide2,6-Dichloro-4-(trifluoromethyl)nicotinamide97%2,6-Dichloro-4-(trifluoromethyl)nicotinamide 95+%

2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide97%2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide 97%SBB102107AKOS005146068AS-5630SY3794502,6-Dichloro-4-trifluoromethyl-nicotinamideCS-0186520

Database identifiers

CAS: 158063-67-3
PubChem CID: 2736874
DTXSID: DTXSID20371668
EC Number: 692-327-6

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 56 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 261

Physicochemical properties

Melting point: 198 · 198-200°C
Boiling point: 267 ℃ · 267℃
Density: 1.631 · 1.631
Flash point: 115 ℃ · 115℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: 13.36 · 13.36±0.50(Predicted)
color: White
CAS DataBase Reference: 158063 · 158063-67-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
Hazard Note: Irritant
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 (50%)

Safety data

hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501