5-Bromo-1-indanone - CAS 34598-49-7

Name: 5-Bromo-1-indanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022199
Product Name:	5-Bromo-1-indanone
CAS:	34598-49-7
Synonyms:	5-bromo-2,3-dihydroinden-1-one

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2,3-dihydroinden-1-one
Description:	5-Bromo-1-indanone (CAS# 34598-49-7) is used as a reagent to synthesize hydrazines as inhibitors of indoleamine-2,3-dioxygenase 1, an immune suppressive enzyme.
Molecular Weight:	211.06
Molecular Formula:	C9H7BrO
Canonical SMILES:	C1CC(=O)C2=C1C=C(C=C2)Br
InChI:	InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChI Key:	KSONICAHAPRCMV-UHFFFAOYSA-N
Boiling Point:	303.7 °C at 760 mmHg
Melting Point:	126-130 °C
Purity:	97 %
Density:	1.608 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00082718
LogP:	2.57800

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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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H302 (94.81%): Harmful if swallowed [Warning Acute toxicity, oral]
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

Publication Number	Title	Priority Date
CN-113321617-A	Red light thermal induction delay fluorescent material, preparation method thereof and organic electroluminescent device	20210617
CN-112574078-A	2-sulfuryl-2, 3-dihydro-1-indanone and derivatives and synthesis method thereof	20201214
KR-20200141972-A	Organic Electroluminescent Compound and Organic Electroluminescent Device Comprising the Same	20201211
WO-2021206876-A1	Inhibitors of norovirus and coronavirus replication	20200410
WO-2021177442-A1	Azole derivative, method for producing azole derivative, agent for agricultural and horticultural use, and industrial material protection agent	20200306

PMID	Publication Date	Title	Journal
20667740	20100915	Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds	Bioorganic & medicinal chemistry
16078833	20050811	6-aryl-8H-indeno[1,2-d]thiazol-2-ylamines: A1 adenosine receptor agonist allosteric enhancers having improved potency	Journal of medicinal chemistry

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.96803
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.96803
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4