Basic information
- CAS
73590-93-9- Standard SMILES
Cc1cnc(CCl)c(C)c1.Cl- InChIKey
KTCKCIHKYBTWLK-UHFFFAOYSA-N- Molecular formula
- C8H11Cl2N
- Average molar mass
- 192.08 g/mol
- Monoisotopic mass
- 191.0268547
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-3,5-dimethylpyridine--hydrogen chloride (1/1)
- IUPAC
- 2-(chloromethyl)-3,5-dimethylpyridine;hydrochloride
- English name
- 3,5-Dimethyl 2-chlormethyl pyridine.HCl
- Molecular formula
- C8H11Cl2N
- Molecular weight
- 192.08
Names & synonyms
73590-93-9DTXSID406118562-(Chloromethyl)-3,5-dimethylpyridine--hydrogen chloride (1/1)RefChem:253496DTXCID805626112-(Chloromethyl)-3,5-dimethylpyridine hydrochlorideMFCD11112031Pyridine, 2-(chloromethyl)-3,5-dimethyl-, hydrochloride2-(chloromethyl)-3,5-dimethylpyridine;hydrochloride2-chloromethyl-3,5-dimethylpyridine hydrochlorideOmeprazole Impurity 252-(CHLOROMETHYL)-3,5-DIMETHYLPYRIDINE HCL
Show more names
Esomeprazol Impurity 10Esomeprazole Impurity 64Esomeprazole Impurity B04Esomeprazole ImpuritieB04Esomeprazole Impurity E041Omeprazole Impurity 16 HClEsomeprazole Impurities547Esomeprazole Impurity 21 HClEsomeprazole Sodium Impurity 405-DIMETHYL 2-CHLORMETHYL PYRIDINE.HCL
Pyridine, 2-(chloromethyl)-3,5-dimethyl-, hydrochloride (1:1); Pyridine, 2-(chloromethyl)-3,5-dimethyl-, hydrochloride (9CI); 2-(Chloromethyl)-3,5-dimethylpyridine hydrochlorideEsomeprazole Impurity 4FAC2S69WQW2-(Chloromethyl)-3,5-dimethylpyridinehydrochlorideSCHEMBL1193387SCHEMBL29861810KTCKCIHKYBTWLK-UHFFFAOYSA-NAKOS016006437
Properties
Computed structural properties
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 145 oC · >145oC (dec.)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Off-White to Light Brown
- InChI
- InChI=1S/C8H10ClN.ClH/c1-6-3-7(2)8(4-9)10-5-6;/h3,5H,4H2,1-2H3;1H
- InChIKey
- KTCKCIHKYBTWLK-UHFFFAOYSA-N
- SMILES
- C(C1N=CC(C)=CC=1C)Cl.Cl
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 310 · P310-P261-P280
- 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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P310-P261-P280
Chemistry & industry
Applications
UsesIntermediate in the preparation of Omeprazole metabolites
Suppliers100 total
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
绍兴恒创合益生物科技有限公司15158234258 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
广州隽唐科技有限公司
Related reactions
1 records
Compound notes
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