Basic information
- CAS
65674-07-9- Standard SMILES
Cc1cc(C)c2c(=O)cc(C)[nH]c2c1- InChIKey
RLAFUJHEIQCSIU-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 2,5,7-Trimethylquinolin-4-ol
- IUPAC
- 2,5,7-trimethyl-1H-quinolin-4-one
- English name
- 2,5,7-trimethyl-1H-quinolin-4-one
- Molecular formula
- C12H13NO
- Molecular weight
- 187.24
Names & synonyms
2,5,7-trimethylquinolin-4-ol65674-07-9DTXSID00352758RefChem:247055DTXCID203038232,5,7-Trimethyl-4-quinolinol2,5,7-trimethyl-1H-quinolin-4-onestarbld0004706Oprea1_548749SCHEMBL8685809WLZ4025RLAFUJHEIQCSIU-UHFFFAOYSA-N
Show more names
AKOS BBS-00009385OTAVA-BB 7018670038OTAVA-BB BB70186700384-Quinolinol, 2,5,7-trimethyl-4-Hydroxy-2,5,7-trimethylquinoline
SBB0162812,5,7-Trimethylquinolin-4(1H)-oneAKOS000273770AKOS009866927AB10590AS-92690DB-073647ST50208107
Database identifiers
- CAS
65674-07-9- PubChem CID
- 735348
- DTXSID
DTXSID00352758- EC Number
- 809-554-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 288 °C · 288 °C (decomp)
- Boiling point
- 344.4 · 344.4±37.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.40(Predicted)
- form
- solid
- InChI
- 1S/C12H13NO/c1-7-4-8(2)12-10(5-7)13-9(3)6-11(12)14/h4-6H,1-3H3,(H,13,14)
- InChIKey
- RLAFUJHEIQCSIU-UHFFFAOYSA-N
- SMILES
- OC1=C(C(C)=CC(C)=C2)C2=NC(C)=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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