8-Methyl-1,2,3,4-tetrahydroquinoline
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Basic information
- CAS
52601-70-4- Standard SMILES
Cc1cccc2c1NCCC2- InChIKey
YIIPMCFBCZKCFB-UHFFFAOYSA-N- Molecular formula
- C10H13N
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.10479942
Overview
8-Methyl-1,2,3,4-tetrahydroquinoline is a member of quinolines.
Names & identifiers
- Preferred name
- 8-Methyl-1,2,3,4-tetrahydroquinoline
- IUPAC
- 8-methyl-1,2,3,4-tetrahydroquinoline
- English name
- 8-Methyl-1,2,3,4-tetrahydroquinoline
- Molecular formula
- C10H13N
- Molecular weight
- 147.22
Names & synonyms
8-methyl-1,2,3,4-tetrahydroquinoline52601-70-4DTXSID50378923RefChem:107253DTXCID50329950836-543-2MFCD002181008-methyl-1,2,3,4-tetrahydro-quinolineSCHEMBL342322CHEBI:194901AKOS000123189AC-26507
Show more names
AKOS BB-9798AKOS B016010ART-CHEM-BB B016010Quinoline, 1,2,3,4-tetrahydro-8-methyl-8-Methyl-1,2,3,4-tetrahydroquinoline 98%
BCP26593orb3029686SCHEMBL1091403SCHEMBL2090032SCHEMBL17969105Fr213008-methyl-1,2,3,4-tetrahydroquinolSBB021213
Database identifiers
- CAS
52601-70-4- PubChem CID
- 2774166
- DTXSID
DTXSID50378923- ChEBI
CHEBI:194901- EC Number
- 108-443-2、836-543-2
- Nikkaji
- J306.176K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 255 °C · 255 °C
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- liquid
- pka
- 5.01 · 5.01±0.20(Predicted)
- color
- Light brown
- CAS DataBase Reference
- 52601 · 52601-70-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 26 · 26-36/37/39-24/25
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- hs_code
- 2933499090
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses8-Methyl-1,2,3,4-tetrahydroquinoline is a useful reagent for template-directed meta-C-H activation.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 8-Methyl-1,2,3,4-tetrahydroquinoline is a member of quinolines.
Related reactions
21 records
Compound notes
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