3-Chloro-6-methoxypyridazine (HCID 74403)

Names & identifiers

Preferred name: 3-Chloro-6-methoxypyridazine
IUPAC: 3-chloro-6-methoxypyridazine
English name: 3-Chloro-6-methoxypyridazine
Molecular formula: C5H5ClN2O
Molecular weight: 144.56

Names & synonyms

3-CHLORO-6-METHOXYPYRIDAZINE1722-10-7EINECS 217-019-7DTXSID10169213NSC 69819NSC 522667RefChem:93481DTXCID2091704217-019-7InChI=1/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1HXBJLKXOOHLLTPG-UHFFFAOYSA-NPyridazine, 3-chloro-6-methoxy-

Show more names

TIMTEC-BB SBB004124SPECS AC-907/250140543-Chloro-6-methoxypyrazine3-Chloro-6-methoxy-1,2-diazine

3-chloro-6-methoxy-pyridazineMFCD000064673-methoxy-6-chloropyridazine4NE4MDH8HE6-chloro-3-methoxypyridazine6-chloropyridazin-3-yl methyl etherNSC-69819STK506190

Database identifiers

CAS: 1722-10-7
PubChem CID: 74403
DTXSID: DTXSID10169213
UNII: 4NE4MDH8HE
EC Number: 217-019-7
Nikkaji: J101.371H

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 35 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 91

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.89

Physicochemical properties

Melting point: 84 · 84-85 °C(lit.)
Boiling point: 285 ℃ · 285℃
Density: 1.292 · 1.292
Flash point: 126 ℃ · 126℃
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 0.74 · 0.74±0.10(Predicted)
color: White to Almost white
BRN: 118854 · 118854
InChI: InChI=1S/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
InChIKey: XBJLKXOOHLLTPG-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(OC)C=C1
CAS DataBase Reference: 1722 · 1722-10-7(CAS DataBase Reference)
FDA UNII: 4 NE4MDH8HE · 4NE4MDH8HE
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
HazardClass: 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 46 reports by companies from 6 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
safety_code: 26-37/39
hazard_class: IRRITANT
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

Uses3-Chloro-6-methoxypyridazine was used in the preparation of number of α-aryl-α-(pyridazin-3-yl)-acetonitriles.

General Description3-Chloro-6-methoxypyridazine undergoes regioselective metallation using various lithium alkylamides, temperatures and solvents (THF and ether). It was lithiated using lithium 2,2,6,6-tetramethylpiperidide during the synthesis of minaprine.