3-Quinolinecarboxaldehyde

HCID 83641CAS 13669-42-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cnc2ccccc2c1
InChIKey
RYGIHSLRMNXWCN-UHFFFAOYSA-N
Molecular formula
C10H7NO
Average molar mass
157.17 g/mol
Monoisotopic mass
157.05276385

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-QuinolinecarbaldehydeMFCD000067683-FormylquinolineEINECS 237-147-7
Show more names
3-QAKOS BBS-00005332RARECHEM AK ML 0129Chinolin-3-carbaldehyd3-quinoliecarboxaldehyde3-quinolylcarboxaldehyde
quinoline-3 carbaldehyde3-quinoline carboxaldehydequinoline 3-carboxaldehyde3-Quinoline-carboxaldehydeQUINOLINE-3-ALDEHYDECHEMBL11852SCHEMBL232457SCHEMBL232458

Database identifiers

CAS
13669-42-6
PubChem CID
83641
DTXSID
DTXSID40159889
ChEMBL
CHEMBL11852
EC Number
237-147-7
Nikkaji
J277.973K

Properties

Computed structural properties

XLogP
2
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

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

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (13.6%)；STOT SE 3 (97.7%)

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

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
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]
苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

108 records
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Linked notes

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