Basic information
- CAS
29334-67-6- Standard SMILES
Cc1cc(C)n(-c2ccc(Cl)nn2)n1- InChIKey
OVXSFTFBSBIDMM-UHFFFAOYSA-N- Molecular formula
- C9H9ClN4
- Average molar mass
- 208.65 g/mol
- Monoisotopic mass
- 208.05157397
Names & identifiers
- Preferred name
- 3-Chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazine
- IUPAC
- 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazine
- English name
- 3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine
- Molecular formula
- C9H9ClN4
- Molecular weight
- 208.65
Names & synonyms
29334-67-63-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazineRefChem:10675993-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazineMFCD00112281Pyridazine, 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)-NSC270405CBDivE_013439IFLab1_000746SCHEMBL1775854CHEMBL2288246DTXSID70313457
Show more names
3-(3,5-Dimethylpyrazol-1-yl)-6-chloropyridazinePyridazine,3-chloro-6-(3,5-diMethyl-1H-pyrazol-1-yl)-3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine90%3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine 90%Pyridazine, 3-chloro-6-(3,5-dimethylpyrazol-1-yl)- (7CI,8CI)JR-8828, 3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine, 97%
OVXSFTFBSBIDMM-UHFFFAOYSA-NHMS1414B20HMS3437A16EBA33467BBL011774STK862422AKOS000320147NSC 270405
Database identifiers
- CAS
29334-67-6- PubChem CID
- 321073
- DTXSID
DTXSID70313457- ChEMBL
CHEMBL2288246- Nikkaji
- J1.023.368B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 112 · 112-114
- Boiling point
- 380.2 · 380.2±42.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- -0.74 · -0.74±0.10(Predicted)
- Appearance
- White to off-white Solid
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- Hazard Note
- Irritant
Safety & regulation
Safety data
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
Chemistry & industry
Suppliers20 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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菏泽博纳医药科技有限公司15865805009 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
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Related reactions
14 records
Compound notes
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