3,5-Dichloro-1,4-dihydropyridazin-4-imine
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Basic information
- CAS
53180-76-0- Standard SMILES
Nc1c(Cl)cnnc1Cl- InChIKey
RPFJGTZUJUOCCL-UHFFFAOYSA-N- Molecular formula
- C4H3Cl2N3
- Average molar mass
- 163.99 g/mol
- Monoisotopic mass
- 162.9704025
Names & identifiers
- Preferred name
- 3,5-Dichloro-1,4-dihydropyridazin-4-imine
- IUPAC
- 3,5-dichloropyridazin-4-amine
- English name
- 3,5-dichloropyridazin-4-amine
- Molecular formula
- C4H3Cl2N3
- Molecular weight
- 163.99
Names & synonyms
3,5-dichloro-1,4-dihydropyridazin-4-imineRefChem:486685867-551-43,5-dichloropyridazin-4-amine53180-76-04-Amino-3,5-dichloropyridazineMFCD016472514-Pyridazinamine, 3,5-dichloro-3,5-dichloro-4-pyridazinamineSCHEMBL16472273,5-dichloro-4-aminopyridazineSCHEMBL30206002
Show more names
3,5-dichloropyridazin-4-amine ISO 9001：2015 REACH
DTXSID40423315TQP0964RPFJGTZUJUOCCL-UHFFFAOYSA-NAKOS015919713CS-W018823AC-37356DS-14646SY045528
Database identifiers
- CAS
53180-76-0- PubChem CID
- 6403201
- DTXSID
DTXSID40423315- EC Number
- 867-551-4
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99
Physicochemical properties
- Melting point
- 176 · 176-178 °C
- Boiling point
- 331.3 · 331.3±37.0 °C(Predicted)
- Density
- 1.606 · 1.606±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 2.03 · 2.03±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C4H3Cl2N3/c5-2-1-8-9-4(6)3(2)7/h1H,(H2,7,8)
- InChIKey
- RPFJGTZUJUOCCL-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NN=CC(Cl)=C1N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- HS Code
- 2933998090 · 2933998090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Applications
Uses3,5-dichloropyridazin-4-amine is a heterocyclic derivative, which can be used as a pharmaceutical intermediate and used in pharmaceutical experimental research.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
9 records
Compound notes
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