4-Bromo-3-methylthiophene-2-carboxaldehyde - CAS 30153-47-0

Name: 4-Bromo-3-methylthiophene-2-carboxaldehyde
Brand: BOC Sciences
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Catalog:	BB020471
Product Name:	4-Bromo-3-methylthiophene-2-carboxaldehyde
CAS:	30153-47-0
Synonyms:	4-bromo-3-methylthiophene-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-3-methylthiophene-2-carbaldehyde
Description:	4-Bromo-3-methylthiophene-2-carboxaldehyde (CAS# 30153-47-0) is a useful research chemical.
Molecular Weight:	205.07
Molecular Formula:	C6H5BrOS
Canonical SMILES:	CC1=C(SC=C1Br)C=O
InChI:	InChI=1S/C6H5BrOS/c1-4-5(7)3-9-6(4)2-8/h2-3H,1H3
InChI Key:	CNQKPFYSSHUZHW-UHFFFAOYSA-N
MDL:	MFCD01859870
LogP:	2.63150

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[69616-74-6]C18H18O6
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[116952-58-0]C14H18N2O3
2-Ethoxycarbonyl-5-methoxytryptamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-106999479-A	It can be used as the heteroaryl compound of SUMO activating enzyme inhibitors	20140701
US-2017107213-A1	Substituted nitrogen-containing heterocyclic derivatives, pharmaceutical compositions comprising the same and applications ofantitumor thereof	20140322
WO-2015144021-A1	Substituted nitrogen-containing heterocyclic derivatives, pharmaceutical compositions comprising the same and applications of antitumor thereof	20140322
EP-2861570-A1	Antibacterial agents: aryl myxopyronin derivatives	20120619
EP-2861570-B1	Antibacterial agents: aryl myxopyronin derivatives	20120619

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.92445
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.92445
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5