3-Bromobenzothiophene-2-carboxaldehyde - CAS 10135-00-9

Catalog:	BB000489
Product Name:	3-Bromobenzothiophene-2-carboxaldehyde
CAS:	10135-00-9
Synonyms:	3-bromo-1-benzothiophene-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-1-benzothiophene-2-carbaldehyde
Description:	3-Bromobenzothiophene-2-carboxaldehyde (CAS# 10135-00-9) is a useful research chemical.
Molecular Weight:	241.10
Molecular Formula:	C9H5BrOS
Canonical SMILES:	C1=CC=C2C(=C1)C(=C(S2)C=O)Br
InChI:	InChI=1S/C9H5BrOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H
InChI Key:	GQUZXULTSUGIRF-UHFFFAOYSA-N
Boiling Point:	351.345 °C at 760 mmHg
Melting Point:	117-121 °C
Purity:	95 %
Density:	1.711 g/cm³
MDL:	MFCD00465001
LogP:	3.47630

Publication Number	Title	Priority Date
KR-20210076428-A	Compound, Organic EL Device and Display Device	20191216
WO-2021125622-A1	Compound, organic electroluminescent element, and display device	20191216
EP-3328846-A1	Novel compounds exhibiting photophysical properties upon formation of lewis acid-base adducts using non-chelating boranes, method for producing the same and devices including the same	20150729
WO-2017016653-A1	Novel compounds exhibiting photophysical properties upon formation of lewis acid-base adducts using non-chelating boranes, method for producing the same and devices including the same	20150729
US-2015361332-A1	Robust photochromic compounds with silicon- or phosphorus-containing heterocyclic ring and the production thereof	20140613

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.92445
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.92445
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4