Basic information
- CAS
109371-20-2- Standard SMILES
Cc1c[n+]([O-])c(C)c(C)c1Cl- InChIKey
OEIVKNYMXKWILN-UHFFFAOYSA-N- Molecular formula
- C8H10ClNO
- Average molar mass
- 171.62 g/mol
- Monoisotopic mass
- 171.04509162
Names & identifiers
- Preferred name
- 4-Chloro-2,3,5-trimethyl-1-oxidopyridin-1-ium
- IUPAC
- 4-chloro-2,3,5-trimethyl-1-oxidopyridin-1-ium
- English name
- 4-CHLORO-2,3,5-TRIMETHYLPYRIDINE-1-OXIDE
- Molecular formula
- C8H10ClNO
- Molecular weight
- 171.62
Names & synonyms
109371-20-24-chloro-2,3,5-trimethyl-1-oxidopyridin-1-ium4-chloro-2,3,5-trimethylpyridine-1-oxide4-chloro-2,3,5-trimethylpyridine 1-oxide4-chloro-2,3,5-trimethylpyridine-N-oxide4-chloro-2,3,5-trimethylpyridine N-oxide4-chloro-2,3,5-trimethylpyridinium-1-olatePyridine, 4-chloro-2,3,5-trimethyl-, 1-oxideSCHEMBL714637DTXSID40381289OEIVKNYMXKWILN-UHFFFAOYSA-NAKOS015910709
Show more names
Pyridine,4-chloro-2,3,5-triMethyl-2,3,5-TRIMETHYL 4-CHLORO PYRIDINE N-OXIDEPyridine,4-chloro-2,3,5-triMethyl-, 1-oxide
4-Chloro-2,3,5-trimethylpyridine1-oxide4-Chloro-2,3,5-trimethyl-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
109371-20-2- PubChem CID
- 2779141
- DTXSID
DTXSID40381289- Nikkaji
- J2.596.710K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 347 · 347.0±37.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 1.52 · 1.52±0.10(Predicted)
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
Chemistry & industry
Suppliers29 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
济南凯西生物科技有限公司13370511208; 15853141736 · [email protected]
沧州恩科医药科技有限公司0317-5296180 15533709196 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
武汉千恒瑞泰生物医药科技有限公司15610156652 · [email protected]
沧州恩科医药科技有限公司0317-5106596 15533709196 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
湖北昌润生物医药技术有限公司027-63496417 13007129042 · [email protected]
苏州阿德莱德化工科技有限公司15995785122 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
武汉鹏垒生物科技有限公司15871464247 17307245989 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
23 records
Compound notes
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