3-Bromo-4-methoxyaniline - CAS 19056-41-8

Name: 3-Bromo-4-methoxyaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014725
Product Name:	3-Bromo-4-methoxyaniline
CAS:	19056-41-8
Synonyms:	3-bromo-4-methoxyaniline; 3-bromo-4-methoxyaniline

Technical Data

IUPAC Name:	3-bromo-4-methoxyaniline
Description:	3-Bromo-4-methoxyaniline (CAS# 19056-41-8) is an intermediate used to prepare triazole analogs of combretastatin A-4 as cytotoxic agents and inhibitors of tubulin. It is also used in the synthesis of (1,2,4-oxadiazolyl)biphenylcarbonyltetrahydrospiro[furo]indolepiperidine (SB-224289) as selective 5-HT1B receptor inverse agonist.
Molecular Weight:	202.05
Molecular Formula:	C7H8BrNO
Canonical SMILES:	COC1=C(C=C(C=C1)N)Br
InChI:	InChI=1S/C7H8BrNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChI Key:	NMUFTXMBONJQTC-UHFFFAOYSA-N
Boiling Point:	282.2 °C at 760 mmHg
Density:	1.531 g/cm³
Solubility:	Other solvents(Soluble) : Methanol
Appearance:	Solid
MDL:	MFCD04094339
LogP:	2.62110

GHS Hazard Statement:	H300+H310+H330 (92.68%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P260, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P304+P340, P310, P314, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

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WO-2021097110-A1	Therapeutic compounds and methods of use	20191113
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TW-202102478-A	Novel iron chelators	20190401

PMID	Publication Date	Title	Journal
20238107	20100501	Targeted LC-MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA	Analytical and bioanalytical chemistry
12470079	20021216	The rhodafluor family. An initial study of potential ratiometric fluorescent sensors for Zn2+	Inorganic chemistry

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.97893
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9