4-(2-Thienyl)benzaldeyde - CAS 107834-03-7

Catalog:	BB002138
Product Name:	4-(2-Thienyl)benzaldeyde
CAS:	107834-03-7
Synonyms:	4-thiophen-2-ylbenzaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-thiophen-2-ylbenzaldehyde
Description:	4-(2-Thienyl)benzaldeyde (CAS# 107834-03-7) is a useful component in the synthesis of stimulus-responsive luminescent organic materials via reactive an inkjet printing system.
Molecular Weight:	188.25
Molecular Formula:	C11H8OS
Canonical SMILES:	C1=CSC(=C1)C2=CC=C(C=C2)C=O
InChI:	InChI=1S/C11H8OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
InChI Key:	UECDQUOWFRTJOH-UHFFFAOYSA-N
Boiling Point:	324.9 °C at 760 mmHg
Melting Point:	67 °C
Purity:	95 %
Density:	1.207 g/cm³
MDL:	MFCD02682003
LogP:	3.22760

Publication Number	Title	Priority Date
CN-112480066-A	Schiff base multifunctional fluorescent probe and preparation method and application thereof	20201127
CN-112480066-B	Schiff base multifunctional fluorescent probe and preparation method and application thereof	20201127
CN-112552305-A	Novel benzocyclohepta-imidazopyridine flame-retardant ultraviolet-resistant molecular material and preparation method and application thereof	20201126
WO-2021178488-A1	Eif4e inhibitors and uses thereof	20200303
US-10584120-B1	Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease	20180831

PMID	Publication Date	Title	Journal
22019468	20111201	Identification of novel CYP2A6 inhibitors by virtual screening	Bioorganic & medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.02958605
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.02958605
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2