Basic information
- CAS
6457-30-3- Standard SMILES
CC(C)c1cccc2cccnc12- InChIKey
FAHUZGNYQXPESZ-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 8-Isopropylquinoline
- IUPAC
- 8-propan-2-ylquinoline
- English name
- 8-(isopropyl)quinoline
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
8-(Isopropyl)quinoline6457-30-38-isopropylquinolineEINECS 229-264-7Quinoline, 8-(1-methylethyl)-8-(1-Methylethyl)quinoline1Z67T58XO4UNII-1Z67T58XO4RefChem:1072138-(propan-2-yl)quinoline8-propan-2-ylquinoline8-Isopropyl-quinoline
Show more names
8-ISOPROPYL-QUINOLINE,99%, GLC
SCHEMBL84502SCHEMBL1765845SCHEMBL3107286SCHEMBL27505099SCHEMBL31490195DTXSID30983190FAHUZGNYQXPESZ-UHFFFAOYSA-NMFCD09908246
Database identifiers
- CAS
6457-30-3- PubChem CID
- 80933
- DTXSID
DTXSID30983190- UNII
- 1Z67T58XO4
- EC Number
- 229-264-7
- Nikkaji
- J225.129I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 133 · 133-134 °C
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- pka
- 4.92 · 4.92±0.17(Predicted)
- LogP
- 3.65 · 3.650 (est)
- FDA UNII
- 1 Z67T58XO4 · 1Z67T58XO4
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H302-H310-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
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
Danger
H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1287 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Quinoline, 8-(1-methylethyl)-
Hazard Classes and CategoriesAcute Tox. 4 (> 99.9%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H302-H310-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Suppliers6 total
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
BOC Sciences[email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海鼎芬化学科技有限公司021-57450129 17701764569 · [email protected]
武汉创合化学有限公司15907120073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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