346268

Sigma-Aldrich

6-Nitrohexanoic acid

98%

Synonym(s):
6-Nitrocaproic acid
Linear Formula:
O2N(CH2)5CO2H
CAS Number:
Molecular Weight:
161.16
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

98%

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.)

SMILES string

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

InChI

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

InChI key

RDMHCTBEKVBKLF-UHFFFAOYSA-N

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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.

Packaging

1 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

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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