Basic information
- CAS
82121-05-9- Standard SMILES
COc1ccc2c(=O)cc[nH]c2c1- InChIKey
NQUPXNZWBGZRQX-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 7-Methoxyquinolin-4-ol
- IUPAC
- 7-methoxy-1H-quinolin-4-one
- English name
- 7-Methoxy-4-quinolinol
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
7-methoxyquinolin-4-olRefChem:546735625-361-74-Hydroxy-7-methoxyquinoline82121-05-97-Methoxy-1H-4-quinolinone190516-85-97-methoxy-1H-quinolin-4-one7-Methoxy-4-quinolinol7-Methoxyquinolin-4(1H)-one4-QUINOLINOL, 7-METHOXY-MFCD00169015
Show more names
QU1284-QuinolinoOprea1_7184017-methoxy-4-quinolone4-Quinolinol,7-methoxy-
4(1H)-Quinolinone, 7-methoxy-DTXSID7010024804-Hydroxy-7-methoxyquinoline, 97%AKOS002683713CS-W017458AB04264AC-3264SY276702
Database identifiers
- CAS
82121-05-9- PubChem CID
- 2831995
- DTXSID
DTXSID701002480- ChEMBL
CHEMBL163900- EC Number
- 625-361-7
- Nikkaji
- J2.447.353H、J994.601B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 75 · 75-77
- Boiling point
- 351.8 · 351.8±22.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.16 · 4.16±0.40(Predicted)
- color
- Light yellow to Brown to Dark green
- InChI
- InChI=1S/C10H9NO2/c1-13-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)
- InChIKey
- NQUPXNZWBGZRQX-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(OC)C=2)C(O)=CC=1
- CAS DataBase Reference
- 82121 · 82121-05-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3335
- hs_code
- 2933499090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Description4-Hydroxy-7-methoxyquinoline is a solid substance and it is a useful research chemical.
Uses7-Methoxy-4-quinolinol is a heterocyclic organic compound and can be used as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers104 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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