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252379

Sigma-Aldrich

Nitrobenzene

ACS reagent, ≥99.0%

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About This Item

Empirical Formula (Hill Notation):
C6H5NO2
CAS Number:
98-95-3
Molecular Weight:
123.11
Beilstein:
507540
EC Number:
202-716-0
MDL number:
MFCD00007043
UNSPSC Code:
12191501
eCl@ss:
39032002
PubChem Substance ID:
329752784
NACRES:
NA.21
grade:
ACS reagent
bp:
210-211 °C (lit.)
vapor pressure:
0.15 mmHg ( 20 °C)
50 mmHg ( 120 °C)
Pricing and availability is not currently available.

grade

ACS reagent

vapor density

4.2 (vs air)

vapor pressure

0.15 mmHg ( 20 °C)
50 mmHg ( 120 °C)

Assay

≥99.0%

form

liquid

autoignition temp.

899 °F

expl. lim.

40 %

dilution

(for analytical testing)

impurities

≤0.0005 meq/g water-soluble titr. acid

evapn. residue

≤0.005%

refractive index

n20/D 1.551 (lit.)

pH

8-8.5 (20 °C, 1 g/L)

bp

210-211 °C (lit.)

mp

5-6 °C (lit.)

density

1.196 g/mL at 25 °C (lit.)

anion traces

chloride (Cl-): ≤5 ppm

SMILES string

[O-][N+](=O)c1ccccc1

InChI

1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChI key

LQNUZADURLCDLV-UHFFFAOYSA-N

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General description

Nitrobenzene is an aromatic nitro compound. It is mainly used as a starting material to produce aniline. It is also used in the manufacture of pharmaceuticals, dyes, and polymers. Additionally, nitrobenzene is also employed as a solvent in organic synthesis, especially for electrophilic reagents.

Application

Nitrobenzene can be used as a reactant to synthesize aniline by selective hydrogenation reaction using Ru/SBA-15 catalyst.

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - Carc. 2 - Repr. 1B - STOT RE 1 Inhalation

Target Organs

Blood

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

190.4 °F - closed cup

Flash Point(C)

88 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW5272
MKCT7653
MKCK4267
SHBJ3622
SHBG5577V

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Paula Rubio-Marqués et al.
Chemical communications (Cambridge, England), 50(14), 1645-1647 (2013-11-26)
Cyclohexanone oxime is formed from nitrobenzene with 97% yield in a one-pot reaction catalysed by palladium and gold nanoparticles on carbon. The reaction is carried out under hydrogen at 60 °C and the overall transformation involves a multi-step catalysed mechanism
Eagleson M.
Concise Encyclopedia Chemistry, 327-327 (1994)
Eagleson M.
Concise Encyclopedia Chemistry, 112-112 (1994)
Stephen W T Price et al.
Angewandte Chemie (International ed. in English), 54(34), 9886-9889 (2015-07-04)
Heterogeneous catalysis performed in the liquid phase is an important type of catalytic process which is rarely studied in situ. Using microfocus X-ray fluorescence and X-ray diffraction computed tomography (μ-XRF-CT, μ-XRD-CT) in combination with X-ray absorption near-edge spectroscopy (XANES), we have
Jiping Jiang et al.
Journal of hazardous materials, 227-228, 280-291 (2012-06-06)
This paper presents a generic framework and decision tools of real-time risk assessment on Emergency Environmental Decision Support System for response to chemical spills in river basin. The generic "4-step-3-model" framework is able to delineate the warning area and the
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Questions

1–3 of 3 Questions  

  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  3. Hi, do you have any information on the molarity or concentration of Nitrobenzene in this product code: 252379 ? Thank you Bastian

    1 answer

    1. This product is supplied as a neat or pure liquid. The concentration of this product can be determined using the lot specific purity reported in the Certificate of Analysis, the density, and the compound molecular weight. This product has a density of 1.196 g/mL and a molecular weight of 123.11 g/mol. The minimum purity is 99.0%, thus the molarity will vary slightly from lot to lot. The molarity can range from 9.6M (99.0%) to 9.7M (100%).

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