3-Chloro-5-(trifluoromethyl)-2-pyridinamine
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Basic information
- CAS
79456-26-1- Standard SMILES
Nc1ncc(C(F)(F)F)cc1Cl- InChIKey
WXNPZQIRDCDLJD-UHFFFAOYSA-N- Molecular formula
- C6H4ClF3N2
- Average molar mass
- 196.56 g/mol
- Monoisotopic mass
- 196.00151047
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 propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
PFAS
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
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: 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
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 3-Chloro-5-(trifluoromethyl)pyridin-2-amine is an aminopyridine.
Related reactions
20 records
Compound notes
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