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2-Iodobenzyl bromide

CAS 40400-13-3C7H6BrIMW 296.93

2-Iodobenzyl bromide (CAS 40400-13-3) — formula C7H6BrI, molecular weight 296.93; category organic chemicals.

Product Overview

CAS Number40400-13-3
Molecular FormulaC7H6BrI
Molecular Weight296.93
LogP3.4
CategoryOrganic Chemicals

Technical Profile

What this product is

2-Iodobenzyl bromide is a carbon-based organic compound with CAS registry number 40400-13-3 and molecular formula C7H6BrI (molecular weight 296.93), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 40400-13-3

Its molecular formula C7H6BrI comprises 7 C, 6 H, 1 Br, 1 I atoms.

Also known as: 2-Iodobenzyl bromide · 2-碘苄基溴

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2-Iodobenzyl bromide?

The CAS registry number of 2-Iodobenzyl bromide is 40400-13-3.

What is the molecular formula and molecular weight of 2-Iodobenzyl bromide?

Molecular formula C7H6BrI, molecular weight 296.93.

What other names is 2-Iodobenzyl bromide known by?

It is also registered under: 2-Iodobenzyl bromide, 2-碘苄基溴.

Which category does 2-Iodobenzyl bromide belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 2-Iodobenzyl bromide (CAS 40400-13-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number40400-13-3
PubChem CID11426472
Molecular formulaC7H6BrI
IUPAC name1-(bromomethyl)-2-iodobenzene
UNII (FDA)NS00116575

Computed descriptors

Molecular Weight296.93
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass295.86976
Monoisotopic Mass295.86976
Topological Polar Surface Area0
Heavy Atom Count9

Documented uses on record

  • 2-iodobenzyl bromide has known human metabolites that include 2-amino-5-[[3-[2-(bromomethyl)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.

Synonyms and trade names

2-Iodobenzyl bromide; 40400-13-3; DTXSID90465568; RefChem:473774; DTXCID80416387; 628-053-0; 1-(bromomethyl)-2-iodobenzene; o-iodobenzyl bromide; alpha-Bromo-2-iodotoluene; 1-Bromomethyl-2-iodobenzene; Benzene, 1-(bromomethyl)-2-iodo-; MFCD00236046; ortho-Iodo-benzylbromide; 2-Iodobenzyl bromide, 97%; CK2021; CS-W007400

GHS hazard classification

Reported hazard statementsH302 (88.6%), H314 (100%), H334 (88.6%)

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

What the public record says

2-Iodobenzyl bromide · CAS 40400-13-3 · C7H6BrI. UNII NS00116575.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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中文页面: 2-碘苄基溴

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