Basic information
- Standard SMILES
O=c1cc[nH]c2ccccc12- InChIKey
PMZDQRJGMBOQBF-UHFFFAOYSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.05276384
Overview
4-quinolone is a quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. It is a tautomer of a quinolin-4-ol.
Names & identifiers
- Preferred name
- 4-Hydroxyquinoline
- IUPAC
- 1H-quinolin-4-one
- English name
- 4-Quinolinol
- Molecular formula
- C9H7NO
- Molecular weight
- 145.16
Names & synonyms
4-HydroxyquinolineQuinolin-4-ol611-36-91H-quinolin-4-oneKynurineM1O131WXFODTXSID50209980CHEBI:15815RefChem:524086DTXCID00132471210-268-24-Quinolinol
Show more names
AKOS 222-324-HydroxyquinoL4-Quinolinol 98%4-Quinolinol >
quinolin-4(1H)-one4(1H)-Quinolinone529-37-34-QuinoloneQuinoline, 4-hydroxy-MFCD000067774-hydroxy quinoline4-Chinolinol
Database identifiers
- CAS
529-37-3、611-36-9- PubChem CID
- 69141
- DTXSID
DTXSID50209980- ChEMBL
CHEMBL1232567- ChEBI
CHEBI:155900- UNII
- M1O131WXFO
- EC Number
- 210-268-2
- Nikkaji
- J387.250E、J7.017C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
LogP0.58
Physicochemical properties
- Melting point
- 200 · 200-202 °C(lit.)
- Boiling point
- 264.27 °C · 264.27°C (rough estimate)
- Density
- 1.1555 · 1.1555 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in methanol.
- form
- Crystalline Powder or Needles
- pka
- 2.23 · 2.23, 11.28(at 20℃)
- color
- Light beige to yellow
- Water Solubility
- 4.8 g/L · 4.8g/L(15 ºC)
- BRN
- 1524969 · 1524969
- InChI
- 1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
- InChIKey
- PMZDQRJGMBOQBF-UHFFFAOYSA-N
- SMILES
- Oc1ccnc2ccccc12
- LogP
- 2.45 · 2.450 (est)
- CAS DataBase Reference
- 611 · 611-36-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 O131WXFO · M1O131WXFO
- NIST Chemistry Reference
- 4 · 4-Quinolinol(611-36-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 4070000 · VC4070000
- HS Code
- 29334900 · 29334900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- VC4070000
- hs_code
- 29334900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description4-Hydroxyquinoline is a quinoline alkaloid that has been found in Z. lotus honeys. It is a core component of alkyl-4-hydroxyquinoline quorum sensing molecules such as 2-heptyl-3-hydroxy-4(1H)-quinolone and 2-nonyl-3-hydroxy-4-quinolone. 4-Hydroxyquinoline has been used as a precursor in the synthesis of compounds with antibacterial activity. It has also been used as a fluorescent detection reagent for iron(III) in bovine liver samples.
Uses4-Hydroxyquinolineis is a raw material in medical research, a hydroxylated quinoline derivative with antimicrobial activity. 4-Hydroxyquinoline showed growth-inhibitory effects against intestinal bacteria. 4-Hydroxyquinoline act as sacrifi cial scavengers of the photogenerated oxygen species and has been shown to prevent the photodegradation of riboflavin.
General Description4-Quinolinol (4-quinolone) is a quinolone compound which forms the core moiety of antibacterials such as norfloxacin, nalidixic acid, ciprofloxacin and cinoxacin.
Upstream & downstream products
Downstream products
Suppliers38 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
成都福瑞斯特科技发展有限公司028-87925786 18010564218 · [email protected]
Nanjing Doge Biomedical Technology Co., Ltd+86-25-58227606 +86-15305155328 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
广州科檬生物科技有限公司400-168-9330 15013243073 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: A monohydroxyquinoline carrying a hydroxy group at position 4.
Related reactions
9 records
Linked notes
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