Basic information
- Standard SMILES
O=Cc1ccnc2ccccc12- InChIKey
MGCGJBXTNWUHQE-UHFFFAOYSA-N- Molecular formula
- C10H7NO
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.05276384
Overview
quinoline-4-carbaldehyde has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 4-Quinolinecarboxaldehyde
- IUPAC
- quinoline-4-carbaldehyde
- English name
- 4-Quinolinecarboxaldehyde
- Molecular formula
- C10H7NO
- Molecular weight
- 157.17
Names & synonyms
Quinoline-4-carbaldehyde4-Quinolinecarboxaldehyde4363-93-33A0K4YX051NSC-1213DTXSID50195899RefChem:178259DTXCID40118390224-453-04-QuinolinecarbaldehydeCinchoninaldehydeQuinoline-4-carboxaldehyde
Show more names
4-fomylquinolineAKOS BBS-000053344-QuinolinealdehydeTIMTEC-BB SBB004008RARECHEM AQ NN 0218Compound F0394-0013QUINOLINE-4-ALDEHYDE
4-FormylquinolineMFCD000067814quinolinecarboxaldehyde4-QUINOLINYL ALDEHYDESCHEMBL333756NSC 1213AKOS000270282CS-W007672
Database identifiers
- CAS
4363-93-3- PubChem CID
- 78072
- DTXSID
DTXSID50195899- ChEMBL
CHEMBL1887130- UNII
- 3A0K4YX051
- EC Number
- 224-453-0
- Nikkaji
- J205.746H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 45 · 45-52 °C (lit.)
- Boiling point
- 131 · 131-133°C 5mm
- Density
- 1.1599 · 1.1599 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.95 · 2.95±0.13(Predicted)
- form
- Crystalline Powder, Chunks, or Solid
- color
- Off-white to yellow-brown
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air Sensitive
- BRN
- 113072 · 113072
- InChI
- InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
- InChIKey
- MGCGJBXTNWUHQE-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)C(C=O)=CC=1
- CAS DataBase Reference
- 4363 · 4363-93-3(CAS DataBase Reference)
- FDA UNII
- 3 A0K4YX051 · 3A0K4YX051
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-36/37/38
- Safety Statements
- 24 · 24/25-36-26-36/37/39
- WGK Germany
- 3 · 3
- F
- 10 · 10
- HazardClass
- IRRITANT
- HS Code
- 29334900 · 29334900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 STOT · Skin 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 46 reports by companies from 6 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
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29334900
- risk_code
- 37/38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36-26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H335
- Hazard Classifications
- Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312
Chemistry & industry
Applications
OccurrenceThe common presence of 4-quinolinecarboxaldehyde in honey from Galicia (northwest of Spain). As opposed to other quinoline carboxylic acid derivatives, the 4- quinolinecarboxaldehyde species has not been correlated with the anti-diabetic properties of honey; nevertheless, it appears to be active against intestinal bacteria.
Uses4-Quinolinecarboxaldehyde was used in the synthesis of lepidylamines. It also shows antimicrobial activity toward human intestinal bacteria such as Clostridium perfringens.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
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Related reactions
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