3-Chloro-5-(trifluoromethyl)-2-pyridinamine (HCID 607248)

Overview

3-Chloro-5-(trifluoromethyl)pyridin-2-amine is an aminopyridine.

Names & identifiers

Preferred name: 3-Chloro-5-(trifluoromethyl)-2-pyridinamine
IUPAC: 3-chloro-5-(trifluoromethyl)pyridin-2-amine
English name: 3-Chloro-5-(trifluoromethyl)pyridin-2-amine
Molecular formula: C6H4ClF3N2
Molecular weight: 196.56

Names & synonyms

3-Chloro-5-(trifluoromethyl)-2-pyridinamine3-Chloro-5-trifluoromethyl-2-pyridylamineDTXSID00345807EC 401-670-0RefChem:500111DTXCID00296880401-670-079456-26-12-Amino-3-chloro-5-(trifluoromethyl)pyridine3-Chloro-5-(trifluoromethyl)pyridin-2-amine2-Amino-3-chloro-5-trifluoromethylpyridineMFCD00042154

Show more names

ACTP5-ACTF2,3,5-actfCompound Fr12847TIMTEC-BB SBB0035843-Chloro-5-(trifluorLABOTEST-BB LT000126082-Amino-3-Chloro-5-Trifluorome2-Amino-3-chloro-5-trifluoropyridine

2-Pyridinamine, 3-chloro-5-(trifluoromethyl)-SCHEMBL1197302-Fluoro-5-(trifluoromethyl);pyridin-3-amine2-amino-3-chloro-5-trifluoromethyl pyridineEN300-191503-Chloro-5-(trifluoromethyl)-2-pyridinylamine #71456-26-33-chloro-5-(trifluoromethyl)-2-pyridylamine

Database identifiers

CAS: 79456-26-1
PubChem CID: 607248
DTXSID: DTXSID00345807
ChEMBL: CHEMBL5407211
ChEBI: CHEBI:194671
UNII: FT3V8L4S3Y
EC Number: 401-670-0
Nikkaji: J43.111G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 161

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Physicochemical properties

Melting point: 86 · 86-90 °C (lit.)
Boiling point: 205 °C · 205°C
Density: 1.465 · 1.4650 (estimate)
vapor pressure: 40.8 Pa · 40.8Pa at 24.85℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 1.79 · 1.79±0.49(Predicted)
form: Crystalline Powder
color: White to off-white
Water Solubility: 622 mg/L · 622mg/L at 25℃
InChI: InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKey: WXNPZQIRDCDLJD-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(C(F)(F)F)C=C1Cl
LogP: 2.59 at · 2.59 at 20℃
CAS DataBase Reference: 79456 · 79456-26-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H412
Precautionary statements: 273 · P273-P301+P312+P330
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-52/53-36/37/38-20/21/22
Safety Statements: 61 · 61-36/37/39-26-22
WGK Germany: 2 · 2
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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)

Hazard information

Regulatory InformationStatus: Active Update: 18-09-2009 https://echa.europa.eu/registration-dossier/-/registered-dossier/1312

Hazard Classes and Categories · 3 items

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
hs_code: 29339900
risk_code: 22-52/53-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 61-36/37/39-26-22
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H412
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
Precautionary statements: P273-P301+P312+P330

Chemistry & industry

Applications

Uses2-Amino-3-chloro-5-trifluoromethylpyridine acts as a reactant in the synthesis of novel imidazo[1,2-a]pyridine-coumarin hybrid molecules as inhibitors of NS5B in potential treatment of Hepititis C.