5-Bromo-3-chloropyridazine
Basic information
- CAS
1196155-33-5- Standard SMILES
Clc1cc(Br)cnn1- InChIKey
CTLXLNJWIQSHPZ-UHFFFAOYSA-N- Molecular formula
- C4H2BrClN2
- Average molar mass
- 193.43 g/mol
- Monoisotopic mass
- 191.90899
Names & identifiers
- Preferred name
- 5-Bromo-3-chloropyridazine
- IUPAC
- 5-bromo-3-chloropyridazine
- English name
- 5-broMo-3-chloropyridazine
- Molecular formula
- C4H2BrClN2
- Molecular weight
- 193.43
Names & synonyms
5-bromo-3-chloropyridazine1196155-33-5DTXSID80717765RefChem:301772DTXCID30668511886-958-8Pyridazine, 5-bromo-3-chloro-MFCD13190293SCHEMBL6928236SCHEMBL30423797CTLXLNJWIQSHPZ-UHFFFAOYSA-NAKOS007930492
Show more names
86. 5-Bromo-3-Chloropyridazine
AB70142AS-52617SY014096DB-340753CS-0050601P15413EN300-2008522AU-004/43508302
Database identifiers
- CAS
1196155-33-5- PubChem CID
- 56587785
- DTXSID
DTXSID80717765- EC Number
- 886-958-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.4
Physicochemical properties
- Boiling point
- 303.7 · 303.7±22.0 °C(Predicted)
- Density
- 1.859 · 1.859±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.25 · -0.25±0.10(Predicted)
- form
- solid
- color
- Light yellow
- InChI
- InChI=1S/C4H2BrClN2/c5-3-1-4(6)8-7-2-3/h1-2H
- InChIKey
- CTLXLNJWIQSHPZ-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NN=CC(Br)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302+H312+H332
- Precautionary statements
- 280 · P280-P301+P312-P305+P351+P338
- 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]
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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H302+H312+H332
- Precautionary statements
- P280-P301+P312-P305+P351+P338
Related reactions
2 records
Compound notes
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