Nitrobenzene
Also known as Nitrobenzol, Benzene, nitro-, Essence of mirbane
Key facts
What buyers check first
- Appearance
- Greenish-yellow crystals or yellow, oily liquid
- Melting point
- 5.7 °C
- Boiling point
- 210.8 °C
- Density
- 1.2037 g/cm³ at 20 °C
- Flash point
- 88 °C
- HS code
- 290420
- Category
- Dye intermediates
- UN number
- UN 1662
What is Nitrobenzene?
Plain description, key identifiers and synonyms
Nitrobenzene is a nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. It is a member of nitrobenzenes and a nitroarene.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- nitrobenzene
- CAS number
- 98-95-3 CAS number cross-checked
- EC number
- 202-716-0
- Molecular formula
- C6H5NO2
- UNII
- E57JCN6SSY
- MDL number
- MFCD00007043
- InChIKey
- LQNUZADURLCDLV-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
- SMILES (canonical and isomeric)
- C1=CC=C(C=C1)[N+](=O)[O-]
Synonyms
- Nitrobenzol
- Benzene, nitro-
- Essence of mirbane
- nitro-Benzene
- Nitrobenzeen
- Nitrobenzen
- Mononitrobenzene
- Essence of Myrbane
- p-Nitrobenzene
- RCRA waste number U169
- p-Nitrophenyl radical
- Benzene,nitro
- Benzene-no2
- Nitrobenzene Standard
- 1-nitrobenzene
- 3-nitrobenzene
- 4-nitrobenzene
- NBZ
- RCRA waste no. U169
- nitro benzene
- p-Nitrophenyl
- mono nitro benzene
- Nitrobenzol, liquid
- Pnp, p-nitrophenol
- Nitrobenzeen(DUTCH)
Show all 30 synonymsShow fewer synonyms
- Nitrobenzen(POLISH)
- PhNO2
- Nitrobenzene- d5
- Nitrobenzol, liquid(DOT)
- ghl.PD_Mitscher_leg0.646
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Greenish-yellow crystals or yellow, oily liquidexp.Measured value |
|---|---|
| Odour | Odor of volatile oil almondexp.Measured value |
| Taste | Aqueous solutions are sweet tastingexp.Measured value |
| Melting point | 5.7 °Cexp.Measured value |
| Boiling point | 210.8 °Cexp.Measured value |
| Density | 1.2037 g/cm³ at 20 °Cexp.Measured value |
| Flash point | 88 °Cexp.Measured value |
| Autoignition temperature | 482 °Cexp.Measured value |
| Solubility | Soluble in ~500 parts water, freely soluble in alcohol, benzene, ether, oilsexp.Measured value |
| Vapour pressure | 1 mm Hg at 44.4 °Cexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 123.11 g/molcalc.Computed value |
|---|---|
| Exact mass | 123.032 Dacalc.Computed value |
| LogP (octanol/water) | 1.59calc.Computed value |
| Topological polar surface area | 43.14 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 9calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
- H311Toxic in contact with skin.
- H331Toxic if inhaled.
- H351Suspected of causing cancer.
- H360FMay damage fertility.
- H372Causes damage to organs through prolonged or repeated exposure.
- H412Harmful to aquatic life with long lasting effects.
Precautionary statements (21)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P262Do not get in eyes, on skin, or on clothing.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P316Get emergency medical help immediately.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 1662
- Transport hazard class
- 6.1
- Packing group
- II
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidNitrobenzene suppliers
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- India, Bharuch ManufacturerUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
- China, NingboUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
- Italy, MilanoUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
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- India, ChennaiUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
- China, ZhangjiagangUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
- India, Mumbai ManufacturerUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
- China, DezhouUnclaimed profileNitrobenzeneGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
146 suppliers in 18 countries
- India54
- United States35
- China24
- Germany6
- United Kingdom5
- Canada3
- and 12 more countries
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Nitrobenzene price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Chemical profile: Nitrobenzene. Most nitrobenzene is captively consumed for the production of aniline by direct hydrogenation of nitrobenzene.
Manufacture of aniline, solvent for cellulose ethers, modifying esterification of cellulose acetate, ingredient of metal polishes, manufacture of benzidine, quinoline, azobenzene, etc.
In soaps, shoe polishes, for refining lubricating oils, manufacture of pyroxylin compounds.
The majority of nitrobenzene is used to manufacture aniline, which is a chemical used in the manufacture of polyurethane. Nitrobenzene is also used to produce lubricating oils and in the manufacture of dyes, drugs, pesticides, and synthetic rubber.
Industrial uses: Other, Intermediate, Laboratory chemicals.
Use classes: Volatile organic compounds.
Functional uses
- Fragrance
- Intermediate
Pharmacology
Nitrobenzene is a yellowish, oily, aromatic nitro-compound with an almond-like odor that emits toxic fumes of nitrogen oxides upon combustion. Nitrobenzene is primarily used in the manufacture of aniline, but is also used in the manufacture of lubricating oils, dyes, drugs, pesticides, and synthetic rubber. Exposure to nitrobenzene irritates the skin, eyes and respiratory tract and can result in methemoglobinemia causing fatigue, dyspnea, dizziness, disturbed vision, shortness of breath, collapse and even death. Nitrobenzene also damages the liver, spleen, kidneys and central nervous system. This substance is a possible mutagen and is reasonably anticipated to be a human carcinogen. (NCI05)
How it is made
The traditional batchwise nitration process, in which mixed acid (27-32/56-60/8-17 wt%) is added to a slight excess of benzene with the temperature controlled at 50-55 °C and the reaction completed by heating to 80-90 °C, has been replaced by continuous processes that operate under similar conditions.
From benzene by nitrating with nitric acid-sulfuric acid mix.
Chemical profile: Nitrobenzene. (Nitrobenzene is) produced by the nitration of benzene using a mixture of nitric acid and sulfuric acid.
Regulatory status
Inventories, regulations and trade controls that list this substance
Europe
- EU harmonised classification (CLP Annex VI)Index no: 609-003-00-7
Health and food
- EU Cosmetics Regulation Annex II, prohibited in cosmeticsName: Nitrobenzene, Ref no: 249, Annex ref: II/249
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Nitrobenzene is traded under.
Derivatives containing only nitro or only nitroso groups
- Belgium34.0%
- United States11.0%
- Germany9.1%
The HS code shown for Nitrobenzene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Nitrobenzene, based on the data on this page
What is Nitrobenzene?
What is the CAS number of Nitrobenzene?
What is the molecular formula and weight of Nitrobenzene?
What is Nitrobenzene used for?
Is Nitrobenzene hazardous?
What is the HS code of Nitrobenzene?
Where can I buy Nitrobenzene?
Where can I buy Nitrobenzene in India?
What is the price of Nitrobenzene?
Guides for buyers
Practical guides that help when you source, ship or handle Nitrobenzene
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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