6-Chloro-N-methylpyridazin-3-amine
Basic information
- CAS
14959-32-1- Standard SMILES
CNc1ccc(Cl)nn1- InChIKey
IHSYIVAZIINDFR-UHFFFAOYSA-N- Molecular formula
- C5H6ClN3
- Average molar mass
- 143.57 g/mol
- Monoisotopic mass
- 143.0250249
Names & identifiers
- Preferred name
- 6-Chloro-N-methylpyridazin-3-amine
- IUPAC
- 6-chloro-N-methylpyridazin-3-amine
- English name
- 6-Chloro-N-methylpyridazin-3-amine
- Molecular formula
- C5H6ClN3
- Molecular weight
- 143.57
Names & synonyms
14959-32-16-chloro-N-methylpyridazin-3-amine6-Chloro-N-methyl-3-pyridazinamineDTXSID40343261RefChem:541896DTXCID00294341639-267-93-Chloro-6-(methylamino)pyridazine3-Chloro-6-methylaminopyridazine3-Pyridazinamine, 6-chloro-N-methyl-MFCD021786013-Chloro-6-N-methylaminopyridazine
Show more names
6-Chloro-N-methylpyridazin-3-amine ISO 9001：2015 REACH
MLS000718878HMS1698N13DS-1083PS-3483SMR000291146SY015482AM20080379FT-0727719
Database identifiers
- CAS
14959-32-1- PubChem CID
- 588540
- DTXSID
DTXSID40343261- ChEMBL
CHEMBL1905096- EC Number
- 639-267-9
- Nikkaji
- J1.394.065G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.3
Experimental & physicochemical properties
Solubility>21.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 198 · 198-199℃
- Boiling point
- 357.4 · 357.4±22.0 °C(Predicted)
- Density
- 1.338 · 1.338
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 4.36 · 4.36±0.10(Predicted)
- color
- off white
- InChI
- InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
- InChIKey
- IHSYIVAZIINDFR-UHFFFAOYSA-N
- SMILES
- C1(NC)=NN=C(Cl)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 3 reports by companies from 3 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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Chloro-6-methylaminopyridazine
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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