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150452

6-Bromohexanoic acid

Name: 6-Bromohexanoic acid
Brand: ALDRICH

97%

Synonym(s):

6-Bromocaproic acid

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About This Item

Linear Formula:

BrCH₂(CH₂)₄COOH

CAS Number:

4224-70-8

Molecular Weight:

195.05

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24849033

EC Number:

224-176-5

Beilstein/REAXYS Number:

1749740

MDL number:

MFCD00004422

Assay:

97%

Form:

solid

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Properties

Quality Level

200

assay

97%

form

solid

bp

165-170 °C/20 mmHg (lit.)

mp

32-34 °C (lit.)

functional group

bromo, carboxylic acid

SMILES string

OC(=O)CCCCCBr

InChI

1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)

InChI key

NVRVNSHHLPQGCU-UHFFFAOYSA-N

Description

Application

6-Bromohexanoic acid was used in the preparation of N-acylsulfonamides on treatment with tosyl isocyanate (189278) and alkyl ketones from alkyl iodides and metallic strontium. It was also used in the synthesis of anionic mitomycin C-dextran conjugate (MMC-D), 2-lithio-1,3-dithian and diaryl thioethers.

hcodes

H314

pictograms

GHS05

signalword

Danger

pcodes

P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

203.0 °F - closed cup

flash_point_c

95 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Synthesis and tissue distribution of fluorine-18 labeled trifluorohexadecanoic acids. Considerations in the development of metabolically blocked myocardial imaging agents.

S S Pochapsky et al.

Bioconjugate chemistry, 1(4), 231-244 (1990-07-01)

A versatile method for the synthesis of trifluoro fatty acids, potential metabolically blocked myocardial imaging agents, has been developed. Two trifluorohexadecanoic (palmitic) acids have been prepared [6,6,16-trifluorohexadecanoic acid (I) and 7,7,16-trifluorohexadecanoic acid (II)], each of which bears two of the

Orthogonal natural atomic orbitals form an appropriate one-electron basis for expanding CASSCF wave functions into localized bonding schemes and their weights.

Vinzenz Bachler

Journal of computational chemistry, 28(12), 2013-2019 (2007-04-05)

Localized bonding schemes and their weights have been obtained for the pi-electron system of nitrone by expanding complete active space self-consistent field wave functions into a set of Slater determinants composed of orthogonal natural atomic orbitals (NAOs) of Weinhold and

Tetrahedron Letters, 48, 787-787 (2007)

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Global Trade Item Number

SKU	GTIN
150452-5G	04061832489216
150452-25G	04061838738837
150452-100G	04061838738820