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4-Bromo-2,3-dihydrobenzofuran

4-Bromo-2,3-dihydrobenzofuran - CAS 774220-36-9

Catalog:	BB035935
Product Name:	4-Bromo-2,3-dihydrobenzofuran
CAS:	774220-36-9
Synonyms:	4-bromo-2,3-dihydrobenzofuran; 4-bromo-2,3-dihydro-1-benzofuran

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2,3-dihydro-1-benzofuran
Description:	Benzofuran derivative used in the synthesis of melatonin receptor agonist and sodium hydrogen exchange compounds.
Molecular Weight:	199.04
Molecular Formula:	C8H7BrO
Canonical SMILES:	C1COC2=C1C(=CC=C2)Br
InChI:	InChI=1S/C8H7BrO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3H,4-5H2
InChI Key:	FLJVEXCGBADRNM-UHFFFAOYSA-N
LogP:	2.38400

Publication Number	Title	Priority Date
CN-113122061-A	Quantum dot ink and preparation method of quantum dot film	20191230
WO-2020061261-A1	Inhibiting ubiquitin specific peptidase 9x	20180919
CN-113164571-A	Inhibition of ubiquitin-specific peptidase 9X	20180919
EP-3852790-A1	Inhibiting ubiquitin specific peptidase 9x	20180919
KR-20210061400-A	Inhibition of ubiquitin specific peptidase 9X	20180919

PMID	Publication Date	Title	Journal
18496722	20080801	Microbial hydroxylation of o-bromophenylacetic acid: synthesis of 4-substituted-2,3-dihydrobenzofurans	Journal of industrial microbiology & biotechnology

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
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:	0
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6