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187887

Sigma-Aldrich

3-Iodobenzyl alcohol

99%

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About This Item

Linear Formula:
IC6H4CH2OH
CAS Number:
57455-06-8
Molecular Weight:
234.03
EC Number:
260-744-9
MDL number:
MFCD00004635
UNSPSC Code:
12352100
PubChem Substance ID:
24851290
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.636 (lit.)

bp

252 °C/711 mmHg (lit.)

density

1.842 g/mL at 25 °C (lit.)

SMILES string

OCc1cccc(I)c1

InChI

1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

InChI key

QGCCNWSXJHGUNL-UHFFFAOYSA-N

Related Categories

General description

3-Iodobenzyl alcohol undergoes cross-coupling reaction with zinc reagent to yield 3R-tert-butoxycarbonylamino-4-(3-hydroxymethylphenyl)butanoic acid benzyl ester.

Application

3-Iodobenzyl alcohol was used in the preparation of:
  • 6-(3-iodo-benzyloxy)-9H-purin-2-ylamine
  • 3-(1-methylethenyl)benzenemethanol
  • 3-ethenylbenzenemethanol
  • dendritic iron(II) porphyrins

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

187887-5G:4548173986180
187887-1G:
187887-BULK:
187887-VAR:

Certificates of Analysis (COA)

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G Vaidyanathan et al.
Bioconjugate chemistry, 11(6), 868-875 (2000-11-23)
Two radiolabeled analogues of 6-benzyloxy-9H-purin-2-ylamine (O(6)-benzylguanine; BG) potentially useful in the in vivo mapping of O(6)-alkylguanine-DNA alkyltransferase (AGT) were synthesized. Fluorine-18 labeling of the known 6-(4-fluoro-benzyloxy)-9H-purin-2-ylamine (FBG; 6) was accomplished by the condensation of 4-[(18)F]fluorobenzyl alcohol with 2-aminopurin-6-yltrimethylammonium chloride (4)
Richard F W Jackson et al.
Organic & biomolecular chemistry, 2(1), 110-113 (2004-01-23)
Palladium-catalysed reaction of unprotected 2-, 3-, and 4-iodophenols with a range of amino acid derived organozinc reagents (not used in excess) gives the expected products in good to excellent yield, demonstrating that carbon-zinc bonds are not protonated by acidic phenols
1-Methyl-1-vinyl-and 1-Methyl-1-(prop-2-enyl) silacyclobutane: Reagents for Palladium-Catalyzed Cross-Coupling Reactions of Aryl Halides.
Denmark SE and Wang Z.
Synthesis, 2000(7), 999-1003 (2000)
Beatrice Felber et al.
Organic & biomolecular chemistry, 1(7), 1090-1093 (2003-08-21)
We report the synthesis of iron(II) porphyrins functionalised with first- and second-generation dendrons as mimics of haemoglobin. The porphyrin core bears an ethynyl linker pointing towards the centre of the molecule, in an ideal position for the introduction of a

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