5-Bromo-2-methylbenzaldehyde - CAS 90050-59-2

Catalog:	BB039747
Product Name:	5-Bromo-2-methylbenzaldehyde
CAS:	90050-59-2
Synonyms:	5-bromo-2-methylbenzaldehyde; 5-bromo-2-methylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-methylbenzaldehyde
Description:	5-Bromo-2-methylbenzaldehyde (CAS# 90050-59-2) is a useful research chemical.
Molecular Weight:	199.04
Molecular Formula:	C8H7BrO
Canonical SMILES:	CC1=C(C=C(C=C1)Br)C=O
InChI:	InChI=1S/C8H7BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-5H,1H3
InChI Key:	YILPAIKZHXATHY-UHFFFAOYSA-N
Boiling Point:	258.388 °C at 760 mmHg
Density:	1.49 g/cm³
MDL:	MFCD05662390
LogP:	2.57000

Publication Number	Title	Priority Date
CN-112028917-A	Preparation method of 3-aldehyde-4-methyl phenylboronic acid	20201010
WO-2021083438-A1	Inhibitors of purine nucleoside phosphorylase - synthesis and use thereof for treatment of t-cell acute lymphoblastic leukemia and lymphoma	20191030
WO-2020262648-A1	Acrylic ester derivative, and application and production intermediate thereof	20190628
WO-2020060299-A1	Compound containing oxadiazole, and pharmaceutical composition containing same	20180921
TW-202023547-A	Compound having oxadiazole and pharmaceutical composition containing the same	20180921

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.96803
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.96803
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4