Basic information
- CAS
58059-31-7- Standard SMILES
COc1ccc(-c2ccc(Cl)nn2)cc1- InChIKey
TZBSFHQGJIBFLX-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 220.0403406
Names & identifiers
- Preferred name
- 3-Chloro-6-(4-methoxyphenyl)pyridazine
- IUPAC
- 3-chloro-6-(4-methoxyphenyl)pyridazine
- English name
- 3-Chloro-6-(4-methoxyphenyl)-pyridazine
- Molecular formula
- C11H9ClN2O
- Molecular weight
- 220.65
Names & synonyms
3-chloro-6-(4-methoxyphenyl)pyridazine58059-31-7DTXSID70482733RefChem:93476DTXCID70433543635-184-73-chloro-6-(4-methoxyphenyl)-pyridazine3-Chloro-6-(4-methoxy-phenyl)-pyridazineMFCD013141383-Chloro-6-(p-methoxyphenyl)pyridazine;1-(6-chloropyridazin-3-yl)-4-methoxybenzeneSALOR-INT L480835-1EA
Show more names
Pyridazine, 3-chloro-6-(4-methoxyphenyl)-SCHEMBL2494845SCHEMBL29664722TZBSFHQGJIBFLX-UHFFFAOYSA-NSBB0276503-chloro-6(4-methoxyphenyl)pyridazineAKOS0003031583-Chloro-6-(p-Methoxyphenyl)pyridazine
Database identifiers
- CAS
58059-31-7- PubChem CID
- 12257501
- DTXSID
DTXSID70482733- EC Number
- 635-184-7
- Nikkaji
- J2.139.024K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 407.8 · 407.8±35.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- pka
- 0.58 · 0.58±0.10(Predicted)
- color
- Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAn Intermediate for the synthesis of the drug Gabazine.
Upstream & downstream products
Downstream products
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
6 records
Compound notes
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