3-Chloro-5-(trifluoromethyl)pyridine (HCID 2736698)

Names & identifiers

Preferred name: 3-Chloro-5-(trifluoromethyl)pyridine
IUPAC: 3-chloro-5-(trifluoromethyl)pyridine
English name: 3-Chloro-5-(trifluoromethyl)pyridine
Molecular formula: C6H3ClF3N
Molecular weight: 181.54

Names & synonyms

3-chloro-5-(trifluoromethyl)pyridine85148-26-1DTXSID30371538RefChem:278382DTXCID00322572678-782-3MFCD00042227Pyridine, 3-chloro-5-(trifluoromethyl)-3-trifluoromethyl-5-chloropyridine3-Chloro-5-trifluoromethylpyridinePS-6449AC-23348

Show more names

3-Chloro-5-(trifluoromethyl)pyridine97%3-Chloro-5-(trifluoromethyl)pyridine 97%3-Chloro-5-(trifluoromethyl)pyridine >3-Chloro-5-(trifluoromethyl)pyridine ISO 9001：2015 REACH

EN300-114758AM20070105FT-0615431SCHEMBL394514SCHEMBL876019SCHEMBL939775orb3031415SCHEMBL1116564

Database identifiers

CAS: 85148-26-1
PubChem CID: 2736698
DTXSID: DTXSID30371538
EC Number: 678-782-3

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 131.5 °C · 131.5 °C
Boiling point: 144 °C · 144°C
Density: 1.416 · 1.416±0.06 g/cm3(Predicted)
refractive index: 1.446 to · 1.4460 to 1.4500
Flash point: 54 ℃ · 54℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: solid
pka: 0.52 · 0.52±0.20(Predicted)
Appearance: 27 °C · Colorless to off-white 27°C Liquid
InChI: InChI=1S/C6H3ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChIKey: OMRCXTBFBBWTDL-UHFFFAOYSA-N
SMILES: C1=NC=C(C(F)(F)F)C=C1Cl
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 301 · P301+P310+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,Xn,T
Risk Statements: 20 · 20/21/22-36/37/38-25
Safety Statements: 26 · 26-36/37/39-36-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL
PackingGroup: III
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 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Safety data

wgk: 3
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: Irritant
safety_code: 26-36/37/39-36-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H301-H315-H319-H335
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P310+P330-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Chloro-5-(trifluoromethyl)pyridine (3CTFP) is a pyridinium salt that is a byproduct of the production of chlorofluorocarbons. It is used to reduce the level of chlorine in water, and it can be used as a pesticide. 3CTFP is also an anion that can be reduced to form the chloride ion. 3CTFP reacts with nucleophiles such as ammonia or amines, which leads to nucleophilic substitution reactions. This reaction can be reversed by adding acid. The product from this reaction is ammonia gas.