Basic information
- Standard SMILES
Nc1ccc(Cl)nn1- InChIKey
DTXVKPOKPFWSFF-UHFFFAOYSA-N- Molecular formula
- C4H4ClN3
- Average molar mass
- 129.55 g/mol
- Monoisotopic mass
- 129.00937481
Overview
3(S)-hydroxy-13-cis-eicosenoyl-CoA is a member of pyridazines.
Names & identifiers
- Preferred name
- 6-Amino-3-chloropyridazine
- IUPAC
- 6-chloropyridazin-3-amine
- English name
- 6-Chloropyridazin-3-amine
- Molecular formula
- C4H4ClN3
- Molecular weight
- 129.55
Names & synonyms
3-Amino-6-chloropyridazine5469-69-26-Chloropyridazin-3-amine3-Pyridazinamine, 6-chloro-6-Chloro-3-pyridazinamine6-Amino-3-chloropyridazinePyridazine, 3-amino-6-chloro-6-Chloro-3-aminopyridazineIJS443SLZGNSC 25227EINECS 226-796-1NSC-25227
Show more names
3-Amino-6-chloropyradazine6-Chloropyridazin-3-amine, 3-Amino-6-chloro-1,2-diazine3-Amino-6-chLoropyridazineBUTTPARK 44\01-57TIMTEC-BB SBB005487Risdiplam Impurity 7Chloridazon Impurity 4
DTXSID7063928RefChem:540207DTXCID4041781Pyridazine, 3-amino-6-chloro-(8CI)MFCD00051506Relugolix Impurity 43-CHLORO-6-PYRIDAZINAMINE6-Chloropyridazine-3-amine
Database identifiers
- CAS
5469-69-2- PubChem CID
- 21643
- DTXSID
DTXSID7063928- ChEBI
CHEBI:169879- UNII
- IJS443SLZG
- EC Number
- 226-796-1
- Nikkaji
- J100.382H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 210 °C · 210 °C
- Boiling point
- 363.2 · 363.2±22.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 4.06 · 4.06±0.10(Predicted)
- color
- Light Brown to Brown
- BRN
- 110918 · 110918
- InChI
- InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
- InChIKey
- DTXVKPOKPFWSFF-UHFFFAOYSA-N
- SMILES
- C1(N)=NN=C(Cl)C=C1
- CAS DataBase Reference
- 5469 · 5469-69-2(CAS DataBase Reference)
- FDA UNII
- 443 SLZG · IJS443SLZG
- EPA Substance Registry System
- 3 · 3-Pyridazinamine, 6-chloro- (5469-69-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22-22
- Safety Statements
- 26 · 26-36/37/39-22-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29339900 · 29339900
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (80.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 18-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31269
Hazard Classes and CategoriesAcute Tox. 4 (80.7%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38-20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-22-36
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridazinamine, 6-chloro-: ACTIVE
Applications
Uses3-Amino-6-chloropyridazine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: 3(S)-hydroxy-13-cis-eicosenoyl-CoA is a member of pyridazines.
Related reactions
184 records
Linked notes
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