5-Bromo-2-thiophenecarboxaldehyde - CAS 4701-17-1

Catalog:	BB026198
Product Name:	5-Bromo-2-thiophenecarboxaldehyde
CAS:	4701-17-1
Synonyms:	5-bromothiophene-2-carbaldehyde

Technical Data

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Patents

Literatures

Computed Properties

IUPAC Name:	5-bromothiophene-2-carbaldehyde
Description:	5-Bromo-2-thiophenecarboxaldehyde (CAS# 4701-17-1) is used in biological studies as anti-inflammatory and anti-tumor activity of the marine mangrove Rhizophora apiculata.
Molecular Weight:	191.05
Molecular Formula:	C5H3BrOS
Canonical SMILES:	C1=C(SC(=C1)Br)C=O
InChI:	InChI=1S/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H
InChI Key:	GFBVUFQNHLUCPX-UHFFFAOYSA-N
Boiling Point:	105-107 °C (11 mmHg)
Density:	1.607 g/cm³
MDL:	MFCD00005432
LogP:	2.32310

Publication Number	Title	Priority Date
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CN-112939938-A	2,4, 6-trisubstituted pyridine compound and application thereof in pesticides	20210311
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PMID	Publication Date	Title	Journal
21826133	20110101	Biological and Spectral Studies of Newly Synthesized Triazole Schiff Bases and Their Si(IV), Sn(IV) Complexes	Bioinorganic chemistry and applications
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H302+H312+H332 (11.11%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	96.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.90880
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.90880
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4