4-Bromo-3-methylbenzaldehyde - CAS 78775-11-8

Catalog:	BB036244
Product Name:	4-Bromo-3-methylbenzaldehyde
CAS:	78775-11-8
Synonyms:	4-bromo-3-methylbenzaldehyde; 4-bromo-3-methylbenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-3-methylbenzaldehyde
Description:	4-Bromo-3-methylbenzaldehyde can be involved in determining conformational landscape of σ and π coupling Using para-phenylene and "Aviram-Ratner" bridges. Tetrahydroquinoline derivatives as opioid receptor antagonists.
Molecular Weight:	199.04
Molecular Formula:	C8H7BrO
Canonical SMILES:	CC1=C(C=CC(=C1)C=O)Br
InChI:	InChI=1S/C8H7BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
InChI Key:	YBXGUHGVNUFFJU-UHFFFAOYSA-N
Boiling Point:	262.166 °C at 760 mmHg
Density:	1.49 g/cm³
MDL:	MFCD07787170
LogP:	2.57000

Publication Number	Title	Priority Date
CN-112552252-A	Preparation method of flurarana intermediate	20200930
WO-2021198283-A1	Inhibitors of antigen presentation by hla-dr	20200331
CN-113354585-A	Synthesis of novel EP4 antagonists and their use in cancer and inflammation	20200304
WO-2021175283-A1	Synthesis of novel ep4 antagonist and use in cancers and inflammations	20200304
US-2021171530-A1	Ion channel modulators	20191126

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
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:	3.1