CAS 258506-68-2 3-Chloro-6-(trifluoromethyl)pyridazine (HCID 28242526)

Names & identifiers

Preferred name: 3-Chloro-6-(trifluoromethyl)pyridazine
IUPAC: 3-chloro-6-(trifluoromethyl)pyridazine
English name: 3-Chloro-6-trifluoromethyl-pyridazine
Molecular formula: C5H2ClF3N2
Molecular weight: 182.53

Names & synonyms

3-chloro-6-(trifluoromethyl)pyridazine258506-68-2DTXSID50651187RefChem:93478DTXCID20601937674-925-93-chloro-6-trifluoromethyl-pyridazine3-Chloro-6-TrifluoromethylPyridazineMFCD08275188pyridazine, 3-chloro-6-(trifluoromethyl)-SCHEMBL155818AMY6435

Show more names

Compound T91753-Chloro-6-(trifluoromethyl)-1,2-diazine3-Chloro-6-trifluoromethyl-pyridazine ISO 9001：2015 REACH

orb2647564SCHEMBL295598383chloro6trifluoromethyl pyridazine3-trifluoromethyl-6-chloropyridazine6-chloro-3-trifluoromethylpyridazine3-Chloro-6-trifluormethyl-pyridazineSBB0545493-chloro-6-(trifluormethyl)pyridazine

Database identifiers

CAS: 258506-68-2
PubChem CID: 28242526
DTXSID: DTXSID50651187
EC Number: 674-925-9
Nikkaji: J1.227.390H

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 55 · 55-59°C
Boiling point: 233.3 · 233.3±35.0 °C(Predicted)
Density: 1.504 · 1.504
Flash point: 95 ℃ · 95℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.53 · -1.53±0.10(Predicted)
form: solid
color: Light yellow
InChI: InChI=1S/C5H2ClF3N2/c6-4-2-1-3(10-11-4)5(7,8)9/h1-2H
InChIKey: AZNKQIFEMQHORS-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(C(F)(F)F)C=C1
CAS DataBase Reference: 258506 · 258506-68-2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319
Precautionary statements: 301 · P301+P310+P330-P302+P352-P305+P351+P338
Hazard Codes: T
Risk Statements: 25 · 25-36/38
Safety Statements: 26 · 26-45-24/25
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 29339900 · 29339900
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. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

Safety data

wgk: 3
ridadr: 2811
hs_code: 29339900
risk_code: 25-36/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 26-45-24/25
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H301-H315-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
Precautionary statements: P301+P310+P330-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3-Chloro-6-(trifluoromethyl)pyridazine is a general reagent for use in the repositioning of antitubercular oxazoles for certain neglected tropical diseases.