150452
6-Bromohexanoic acid
97%
Synonym(s):
6-Bromocaproic acid
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About This Item
Linear Formula:
BrCH2(CH2)4COOH
CAS Number:
Molecular Weight:
195.05
Beilstein:
1749740
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
form
solid
bp
165-170 °C/20 mmHg (lit.)
mp
32-34 °C (lit.)
functional group
bromo
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
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
203.0 °F - closed cup
Flash Point(C)
95 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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
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)
D Poirier et al.
Journal of medicinal chemistry, 37(8), 1115-1125 (1994-04-15)
The reaction of 1,2-diarylethanol and mercapto side chain catalyzed by ZnI2 was used as a key step in the short (three to five steps) and efficient synthesis of 17 diaryl thioether derivatives. Several of these compounds contain a methyl butyl
S Matsumoto et al.
Cancer research, 46(9), 4463-4468 (1986-09-01)
Cellular interaction and in vitro antitumor activity of a polymeric prodrug of mitomycin C (MMC), mitomycin C-dextran conjugate (MMC-D), were studied in relation to its physicochemical characteristics. MMC-D with cationic and anionic charges were examined. The cationic MMC-D was synthesized
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