CAS 1632-76-4 3-Methylpyridazine (HCID 74208)

Overview

structure given in first source

Names & identifiers

Preferred name: 3-Methylpyridazine
IUPAC: 3-methylpyridazine
English name: 3-METHYLPYRIDAZINE
Molecular formula: C5H6N2
Molecular weight: 94.11

Names & synonyms

3-Methylpyridazine1632-76-48PXS99XG8PNSC-96966DTXSID80167529RefChem:94957DTXCID7090020216-640-0PYRIDAZINE, 3-METHYL-MFCD00006469methyldiazine3-methyl pyridazine

Show more names

SKL0343-Methylpyridazin3-Methyl-1,2-diazinePyridazine,3-methyl-3-Methylpyridazine>3-Methylpyridazine,99%3-Methylpyridazine, 98%3-Methylpyridazine, 99% 5GR

AKOS015902330SY031534M0872EN300-83809Pyridazine, methyl-Z12456483243-Methyl-1,2-diazine; NSC 96966LCZC2189

Database identifiers

CAS: 1632-76-4
PubChem CID: 74208
DTXSID: DTXSID80167529
UNII: 8PXS99XG8P
EC Number: 216-640-0
Nikkaji: J149.936J

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 54

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP-0.35

Physicochemical properties

Melting point: 184 °C · 184°C
Boiling point: 214 °C · 214 °C (lit.)
Density: 1.031 g/mL · 1.031 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.514(lit.)
Flash point: 190 °F · 190 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, Methanol (Slightly)
pka: 3.47 · 3.47±0.10(Predicted)
form: Liquid
color: Clear yellow to brown
Specific Gravity: 1.031 · 1.031
BRN: 105691 · 105691
InChI: 1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3
InChIKey: MXDRPNGTQDRKQM-UHFFFAOYSA-N
SMILES: Cc1cccnn1
CAS DataBase Reference: 1632 · 1632-76-4(CAS DataBase Reference)
FDA UNII: 8 PXS99XG8P · 8PXS99XG8P
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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 29339980 · 29339980
Storage Class: 10 · 10 - Combustible liquids
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 110 reports by companies from 7 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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29339980
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Storage Class: 10 - Combustible liquids
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-Methylpyridazine can be used to diagnose and treat cardiovascular diseases and conditions.

General Description3-Methylpyridazine(3-Mepydz) reacts with halogenotrimethylplatinum (IV), [PtXMe3)4], to form complexes of type fac-[PtXMe3(3-Mepydz)2] (X = Cl, Br or I). It undergoes self-association in aqueous solution at acidic, neutral and basic pH . It is a diazaaromatic compound and reacts with bis (1,1,1,5,5,5-hexafluoropentane-2,4-dionato) copper (II) complexes.