3-Chloro-6-phenylpyridazine (HCID 88515)

Names & identifiers

Preferred name: 3-Chloro-6-phenylpyridazine
IUPAC: 3-chloro-6-phenylpyridazine
English name: 3-Chloro-6-phenylpyridazine
Molecular formula: C10H7ClN2
Molecular weight: 190.63

Names & synonyms

3-Chloro-6-phenylpyridazine20375-65-9DTXSID10174302EINECS 243-772-6NSC 28739RefChem:93484DTXCID3096793243-772-6Pyridazine, 3-chloro-6-phenyl-3-Phenyl-6-chloropyridazine3-Chloro-6-phenyl-pyridazineMFCD00075253

Show more names

6-Phenyl-3-chloropyridazinePyridazine,3-chloro-6-phenyl-3-Chloro-6-phenylpyridazine97%3-Chloro-6-phenylpyridazine 97%JR-8838, 3-Chloro-6-phenylpyridazine, 97%3-CHLORO-6-PHENYLPYRIDAZINE ISO 9001：2015 REACH(6-Chloropyridazin-3-yl)benzene, 3-Chloro-6-phenyl-1,2-diazine

3-chloro-6-phenylpyridazin6-chloro-3-phenylpyridazine3-chloro-6-phenyl pyridazineMLS000780052NSC-28739AKOS005208478SMR0004202356-Phenyl-3-chloropyridazine; NSC 28739; 3-Phenyl-6-chloropyridazine; 6-Chloro-3-phenylpyridazine

Database identifiers

CAS: 20375-65-9
PubChem CID: 88515
DTXSID: DTXSID10174302
ChEMBL: CHEMBL1874651
UNII: 6R4KXE34TW
EC Number: 243-772-6
Nikkaji: J280.579K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

Solubility10.3 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 159 · 159-161 °C (lit.)
Boiling point: 375 · 375.0±22.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Sparingly), Methanol (Slightly, Heated)
form: Solid
pka: 0.42 · 0.42±0.10(Predicted)
color: Light Brown
InChI: 1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N
SMILES: Clc1ccc(nn1)-c2ccccc2
CAS DataBase Reference: 20375 · 20375-65-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933998090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses3-Chloro-6-phenylpyridazine may be used in the synthesis of 6-substituted phenyl-2-(3í-substituted phenylpyridazin-6í-yl)-2,3,4,5-tetrahydropyridazin-3-ones.

General Description3-Chloro-6-phenylpyridazine is an heteroaromatic compound and is investigated by cyclic voltammetry and preparative scale electrolysis in the presence and absence of carbon dioxide. Fluorination of 3-chloro-6-phenylpyridazine with KF under solvent-free conditions in the presence of a phase transfer agent, with or without microwave irradiation is reported.