346268

6-Nitrohexanoic acid

98%

• Synonym(s): 6-Nitrocaproic acid
• Linear Formula: O₂N(CH₂)₅CO₂H
• CAS Number: 10269-96-2
• Molecular Weight: 161.16
• MDL number: MFCD00075346
• UNSPSC Code: 12352100
• PubChem Substance ID: 24861386
• NACRES: NA.22

Properties

• 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
• 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

Description

Application

6-Nitrohexanoic acid may be used in the synthesis of 6-aminohexanoic acid, which on polymerization yields Nylon-6.[1] It may be used in the synthesis of conjugable analog of benzodiazepine 4′′chlorodiazepam (Ro5-4864), C₆Ro5-4864.[2]

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H315,H319,H335
• pcodes: P261 - P264 - P270 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• 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_germany: 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