2-Iodobenzyl bromide - CAS 40400-13-3

Name: 2-Iodobenzyl bromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024483
Product Name:	2-Iodobenzyl bromide
CAS:	40400-13-3
Synonyms:	1-(bromomethyl)-2-iodobenzene

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	1-(bromomethyl)-2-iodobenzene
Description:	2-Iodobenzyl bromide (CAS# 40400-13-3) is a useful research chemical.
Molecular Weight:	296.93
Molecular Formula:	C7H6BrI
Canonical SMILES:	C1=CC=C(C(=C1)CBr)I
InChI:	InChI=1S/C7H6BrI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChI Key:	GQFITODJWOIYPF-UHFFFAOYSA-N
Boiling Point:	125 °C / 4 mmHg
Melting Point:	54-60 °C
Purity:	95 %
Density:	2.106 g/cm³
Appearance:	White to tan solid
Storage:	Refrigerator
MDL:	MFCD00236046
LogP:	3.18610

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Related Functional Groups

Halides

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole

GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P280, P285, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P330, P342+P311, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CZ-34625-U1	Purine nucleoside phosphorylase inhibitors for the treatment of T-cell acute lymphoblastic leukemia and lymphomas	20201026
CN-111484503-A	Mikanolide derivative and preparation method and application thereof	20200110
WO-2021083438-A1	Inhibitors of purine nucleoside phosphorylase - synthesis and use thereof for treatment of t-cell acute lymphoblastic leukemia and lymphoma	20191030
CN-110534658-A	Organic electroluminescence device and electronic device	20190823
WO-2020157463-A1	Disulphide compounds	20190130

PMID	Publication Date	Title	Journal
21673988	20110101	Increasing the analytical sensitivity by oligonucleotides modified with para- and ortho-twisted intercalating nucleic acids--TINA	PloS one
19105723	20090101	Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound	Journal of combinatorial chemistry
19105725	20090101	Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction	Journal of combinatorial chemistry

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.86976
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.86976
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4