3-Quinolinecarboxaldehyde
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Basic information
- CAS
13669-42-6- Standard SMILES
O=Cc1cnc2ccccc2c1- InChIKey
RYGIHSLRMNXWCN-UHFFFAOYSA-N- Molecular formula
- C10H7NO
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.05276385
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Quinolinecarboxaldehyde
- IUPAC
- quinoline-3-carbaldehyde
- English name
- 3-Quinolinecarboxaldehyde
- Molecular formula
- C10H7NO
- Molecular weight
- 157.17
Names & synonyms
3-Quinolinecarboxaldehyde13669-42-6Quinoline-3-carbaldehydeDTXSID40159889RefChem:872033DTXCID3082380237-147-7Quinoline-3-carboxaldehyde3-Quinolinecarbaldehyde3-FormylquinolineMFCD000067683-quinoline carbo
Show more names
3-QAKOS BBS-00005332RARECHEM AK ML 0129Chinolin-3-carbaldehyd3-quinoliecarboxaldehyde3-quinolylcarboxaldehyde
QUINOLINE-3-ALDEHYDE3-Quinolinecarboxaldehyde, 98%SB12923Q0075EN300-66977BCP15507EINECS 237-147-7AM803181
Database identifiers
- CAS
13669-42-6- PubChem CID
- 83641
- DTXSID
DTXSID40159889- ChEMBL
CHEMBL11852- EC Number
- 237-147-7
- Nikkaji
- J277.973K
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- 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
- 68 · 68-71 °C (lit.)
- Boiling point
- 128 °C/1mmHg · 128°C/1mmHg(lit.)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.36 · 3.36±0.11(Predicted)
- form
- Powder
- color
- White to yellow
- λmax
- 282 nm · 282nm(MeOH)(lit.)
- Sensitive
- Air Sensitive
- BRN
- 113269 · 113269
- InChI
- 1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7H
- InChIKey
- RYGIHSLRMNXWCN-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1cnc2ccccc2c1
- CAS DataBase Reference
- 13669 · 13669-42-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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
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 44 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-23
- 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
- 26-37/39-36-24/25-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-Quinolinecarboxaldehyde was used in the synthesis of 1,4-addition products.
General DescriptionThe structure and vibrational spectra of 3-quinolinecarboxaldehyde has been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
108 records
Compound notes
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