Basic information
- CAS
65242-28-6- Standard SMILES
N#Cc1cc2c(nc1Br)CCCC2- InChIKey
XMQNLGKWZDZTSR-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2
- Average molar mass
- 237.1 g/mol
- Monoisotopic mass
- 235.99491
Names & identifiers
- Preferred name
- 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-Bromo-5,6,7,8-Tetrahydroquinoline-3-Carbonitrile
- Molecular formula
- C10H9BrN2
- Molecular weight
- 237.1
Names & synonyms
2-bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile65242-28-63-Quinolinecarbonitrile, 2-bromo-5,6,7,8-tetrahydro-MFCD16070623SCHEMBL23782803XMQNLGKWZDZTSR-UHFFFAOYSA-DTXSID10347019XMQNLGKWZDZTSR-UHFFFAOYSA-NAKOS010923434AS-69136CS-0102412W10464
Show more names
2-Bromo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile #InChI=1/C10H9BrN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h5H,1-4H2
Database identifiers
- CAS
65242-28-6- PubChem CID
- 617243
- DTXSID
DTXSID10347019
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
苏州美石生物科技有限公司1173954148q · [email protected]
上海安米克化学品有限公司微信：18019252918 18019252918 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
誉通医药科技（苏州）有限公司0512-15851462628 15851462628 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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