2-Chloro-6-methyl-4-(trifluoromethyl)pyridine

HCID 2736626

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22123-14-4
Standard SMILES: Cc1cc(C(F)(F)F)cc(Cl)n1
InChIKey: SXLBWNSGCIEART-UHFFFAOYSA-N
Molecular formula: C7H5ClF3N
Average molar mass: 195.57 g/mol
Monoisotopic mass: 195.0062613

Names & identifiers

Preferred name: 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine
IUPAC: 2-chloro-6-methyl-4-(trifluoromethyl)pyridine
English name: 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine
Molecular formula: C7H5ClF3N
Molecular weight: 195.57

Names & synonyms

2-chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-4DTXSID10371490RefChem:86349DTXCID70322524639-316-4MFCD00052900Pyridine, 2-chloro-6-methyl-4-(trifluoromethyl)-2-chloro-6-methyl-4-trifluoromethylpyridine2-chloro-4-trifluoromethyl-6-methylpyridine2-chlor-6-methyl-4-(trifluormethyl)pyridine2-chloro-6-methyl-4-trifluoromethyl-pyridine

Show more names

6-Chloro-4-(trifluoromethyl)-2-picoline2-Methyl-6-chlor-4-trifluormethylpyridine2-Chloro-6-methyl-4-(trifluoromethyl)pyridine97%2-Chloro-6-methyl-4-(trifluoromethyl)pyridine 97%

2-chloro-6-methyl-4-(trifluoromethyl)-pyridineSCHEMBL562878orb3031152SCHEMBL29256257SCHEMBL29659055Fr12827SBB091922AKOS005063437

Database identifiers

CAS: 22123-14-4
PubChem CID: 2736626
DTXSID: DTXSID10371490
EC Number: 107-076-5、639-316-4
Nikkaji: J307.756J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 66 °C · 66 °C
Density: 1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: liquid
pka: -0.38 · -0.38±0.10(Predicted)
color: Colourless to light yellow
InChI: InChI=1S/C7H5ClF3N/c1-4-2-5(7(9,10)11)3-6(8)12-4/h2-3H,1H3
InChIKey: SXLBWNSGCIEART-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC(C(F)(F)F)=C1
CAS DataBase Reference: 22123 · 22123-14-4(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
Hazard Codes: Xi,Xn,T
Risk Statements: 20 · 20/21/22-36/37/38-25
Safety Statements: 23 · 23-36/37/39-45-26
RIDADR: 2811 · UN 2811 6.1 / PGIII
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

Safety data

ridadr: UN 2811 6.1 / PGIII
hs_code: 2933399990
risk_code: 20/21/22-36/37/38-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,Xn,T
hazard_note: Harmful
safety_code: 23-36/37/39-45-26
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310