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Merck
CN

346268

6-Nitrohexanoic acid

98%

Synonym(s):

6-Nitrocaproic acid

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About This Item

Linear Formula:
O2N(CH2)5CO2H
CAS Number:
10269-96-2
Molecular Weight:
161.16
NACRES:
NA.22
PubChem Substance ID:
24861386
UNSPSC Code:
12352100
MDL number:
MFCD00075346
Assay:
98%
Form:
solid

Key Documents

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InChI

1S/C6H11NO4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)

SMILES string

OC(=O)CCCCC[N+]([O-])=O

InChI key

RDMHCTBEKVBKLF-UHFFFAOYSA-N

assay

98%

form

solid

refractive index

n20/D 1.459 (lit.)

bp

136 °C/0.3 mmHg (lit.)

mp

21-22 °C (lit.)

density

1.186 g/mL at 25 °C (lit.)

functional group

amine, carboxylic acid, nitro

Application

6-Nitrohexanoic acid may be used in the synthesis of 6-aminohexanoic acid, which on polymerization yields Nylon-6. It may be used in the synthesis of conjugable analog of benzodiazepine 4′′chlorodiazepam (Ro5-4864), C6Ro5-4864.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBG0953V
8202LC
11723TS
09608PY
05814JZ

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Cleavage of 2-nitrocyclohexanone by base.
Matlack AS and Breslow DS.
The Journal of Organic Chemistry, 32(6), 1995-1996 (1967)
Mingfeng Bai et al.
Bioconjugate chemistry, 18(4), 1118-1122 (2007-06-08)
A conjugable analogue of the benzodiazepine 4' '-chlorodiazepam (Ro5-4864), C6Ro5-4864 was synthesized to probe the binding sites of translocator protein (18 kDa; TSPO), previously known as the peripheral benzodiazepine receptor for molecular imaging. The amino group in this analogue allows

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