Basic information
- CAS
810668-57-6- Standard SMILES
Clc1ccc2c(n1)CNC2- InChIKey
MSLXPRCFQNRAPN-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2
- Average molar mass
- 154.6 g/mol
- Monoisotopic mass
- 154.0297759
Names & identifiers
- Preferred name
- 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine
- IUPAC
- 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
- English name
- 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
- Molecular formula
- C7H7ClN2
- Molecular weight
- 154.6
Names & synonyms
2-CHLORO-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDINE810668-57-6MFCD115189355H-Pyrrolo[3,4-b]pyridine, 2-chloro-6,7-dihydro-FD7109SCHEMBL8685552-CHLORO-5H,6H,7H-PYRROLO[3,4-B]PYRIDINESCHEMBL30101445DTXSID90463640MSLXPRCFQNRAPN-UHFFFAOYSA-NAKOS006322830PB22510
Show more names
2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine HCl2-chloro-5H,6H,7H-pyrrolo[3,4-b]pyridine hydrochloride2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridinehydrochloride2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine ISO 9001：2015 REACH
AS-49288DB-075729CS-0054799EN300-2559306,7-Dihydro-2-chloro-5H-pyrrolo[3,4-b]pyridineF227825
Database identifiers
- CAS
810668-57-6- PubChem CID
- 11367131
- DTXSID
DTXSID90463640
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 194 · 194-195 °C
- Boiling point
- 255.6 · 255.6±40.0 °C(Predicted)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- pka
- 5 · 5+-.0.20(Predicted)
- InChI
- InChI=1S/C7H7ClN2/c8-7-2-1-5-3-9-4-6(5)10-7/h1-2,9H,3-4H2
- InChIKey
- MSLXPRCFQNRAPN-UHFFFAOYSA-N
- SMILES
- C12CNCC1=CC=C(Cl)N=2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers44 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
郑州药领医药科技有限公司13526569071 · [email protected]
上海升华医药科技有限公司021-50793966 18917198199
skychemical Co.Ltd021-20958197 20965099 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
百盛HK进出口有限公司+86-18068513926
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海彰锐化工科技有限公司021-54880687
郑州安步防护用具有限公司
Related reactions
4 records
Compound notes
Loading…