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646-14-0

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646-14-0 Usage

Chemical Properties

Colourless Liquid

Uses

1-Nitrohexane is used in method for preparing amine by reducing nitro compound with pinacolborane under catalysis of cyclic (alkyl) (amino) carbene chromium complex.

Synthesis Reference(s)

The Journal of Organic Chemistry, 44, p. 659, 1979 DOI: 10.1021/jo01318a050Synthesis, p. 835, 1978 DOI: 10.1055/s-1978-24907

General Description

Clear colorless liquid. Insoluble in water.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Nitroalkanes, such as 1-NITROHEXANE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames.

Fire Hazard

Flash point data for 1-NITROHEXANE are not available. 1-NITROHEXANE is combustible.

Check Digit Verification of cas no

The CAS Registry Mumber 646-14-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,4 and 6 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 646-14:
(5*6)+(4*4)+(3*6)+(2*1)+(1*4)=70
70 % 10 = 0
So 646-14-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

646-14-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Detail
  • Aldrich

  • (259497)  1-Nitrohexane  98%

  • 646-14-0

  • 259497-1G

  • 694.98CNY

  • Detail
  • Aldrich

  • (259497)  1-Nitrohexane  98%

  • 646-14-0

  • 259497-5G

  • 2,387.97CNY

  • Detail

646-14-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-NITROHEXANE

1.2 Other means of identification

Product number -
Other names Hexane, 1-nitro-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:646-14-0 SDS

646-14-0Relevant articles and documents

Metal Chelate Molluscicides: The Redistribution of Iron Diazaalkanolates from the Gut Lumen of the Slug, Deroceras reticulatum (Mueller) (Pulmonata: Limacidae)

Clark, Suzanne J.,Coward, Nicola P.,Dawson, Glenn W.,Henderson, Ian F.,Martin, Andrew P.

, p. 381 - 388 (1995)

Two related iron chelates, one toxic to slugs by ingestion, the other not, were introduced into the foregut of D. reticulatum. The subsequent movement and redistribution of the metal within the slug tissues was studied by labelling the chelates with the radioactive isotope 55Fe. In slugs which survived treatment approximately half of the 55Fe was voided in faeces. The iron retained became unevenly distributed, the highest concentration occurring in the digestive gland, irrespective of the chelate used. At high doses, slugs treated with tris(1-oxo-1,2-diazabutan-2-oxido)Fe(III) were fatally poisoned while those treated with the homologue, tris(1-oxo-1,2-diazaoctan-2-oxido)Fe(III) were not. Slugs killed by the toxic chelate consistently contained proportionally less iron in the digestive gland and proportionally more in the body wall and reproductive system. Dosing slugs already killed by carbon dioxide asphyxiation gave a similar pattern, suggesting that the greater mobility of the iron from the toxic chelate was not a function of the slugs' metabolism.

Green synthesis of low-carbon chain nitroalkanes via a novel tandem reaction of ketones catalyzed by TS-1

Chu, Qingyan,He, Guangke,Xi, Yang,Wang, Ping,Yu, Haoxuan,Liu, Rui,Zhu, Hongjun

, p. 46 - 50 (2018/02/09)

A green and efficient one-pot method has been developed for the synthesis of low-carbon chain nitroalkanes via a novel TS-1 catalyzed tandem oxidation of ketones with H2O2 and NH3. The tandem reaction including ammoxidation, oximation and oxidation of oximes, afforded up to 88% yield and 98% chemo-selectivity requiring only 90 min, at 70 °C and atmospheric pressure. Moreover, this method was even amenable to 100-fold scale-up without loss of chemical efficiency with 87% yield, represents a significant advance towards industrial production of nitroalkanes. Furthermore, the plausible mechanism of TS-1 catalyzed tandem oxidation of ketones to prepare nitroalkanes was proposed.

Easily-controlled chemoselective hydrogenation by using palladium on boron nitride

Yabe, Yuki,Sawama, Yoshinari,Yamada, Tsuyoshi,Nagata, Saori,Monguchi, Yasunari,Sajiki, Hironao

, p. 2360 - 2366 (2013/08/23)

The hydrogenation catalyzed heterogeneously by palladium on boron nitride (Pd/BN) in methanol realized the chemoselective hydrogenation of only azides, alkenes, and alkynes in the presence of other reducible functionalities such as benzyl ethers, aryl halides, aryl ketones, and nitro groups. Furthermore, the totally chemoselective semihydrogenation of alkynes could also be achieved without the reduction of other coexisting reducible functionalities, which include azides and alkenes, by using Pd/BN in pyridine as a solvent. Be unique, be selective: The chemoselective hydrogenation of azides, alkenes, and alkynes was achieved without the reduction of other reducible functionalities by the use of a heterogeneous palladium on boron nitride (Pd/BN) catalyst. Furthermore, Pd/BN was applicable to the unique and chemoselective semihydrogenation of alkynes without the reduction of azido functionalities in the presence of pyridine or diethylenetriamine.

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