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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
224-176-5
Beilstein/REAXYS Number:
1749740
MDL number:
Assay:
97%
Form:
solid
Quality Level
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
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.
signalword
Danger
hcodes
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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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
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)