Nitration

Description

Nitration · CAS 26181-88-4 · C6H6. UNII J64922108F. Boiling Point: 176.2 °F at 760 mmHg (NTP, 1992); Boiling Point: 80.08 °C; Boiling Point: 80.00 to 81.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	26181-88-4
PubChem CID	241
Molecular formula	C6H6
IUPAC name	benzene
UNII (FDA)	J64922108F

Computed Descriptors

Molecular Weight	78.11
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	78.0469501914
Monoisotopic Mass	78.0469501914
Topological Polar Surface Area	0
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	176.2 °F at 760 mmHg (NTP, 1992)
Boiling Point	80.08 °C
Boiling Point	80.00 to 81.00 °C. @ 760.00 mm Hg
Boiling Point	80 °C
Boiling Point	176.2 °F
Boiling Point	80.09 °C @760 [mm Hg]
Boiling Point	176 °F
Melting Point	41.9 °F (NTP, 1992)
Melting Point	5.558 °C
Melting Point	5.5 °C

Physical description & handling notes

• Benzene appears as a clear colorless liquid with a petroleum-like odor. Flash point less than 0 °F. Less dense than water and slightly soluble in water. Hence floats on water. Vapors are heavier than air.
• CBI; Gas Vapor; Liquid; Gas Vapor; Liquid
• Colorless to light-yellow liquid with an aromatic odor. Note: A solid below 42 degrees F; [NIOSH]
• Liquid
• COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
• Highly flammable colorless to light-yellow liquid with a petroleum-like odor.

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: Use unspecified FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS EXTRACTION_SOLVENT: Food Additives Not to be used. JECFA noted that in view of the many known toxic effects of benzene in humans it was concluded that benzene wa TRS 648-JECFA 23/18
GHS notification summary	0.1% (2 / 1934)

GHS Hazard Classification

GHS notification summary	0.1% (2 / 1934)
Reported hazard statements	H225, H304, H315, H319, H340, H350, H372, H412 (17.2%)

Documented Uses

• Benzene is used as a constituent in motor fuels; as a solvent for fats, waxes, resins, oils, inks, paints, plastics, and rubber; in the extraction of oils from seeds and nuts; and in photogravure printing. It is also used as a chemical intermediate. Benzene is also used in the manufacture of detergents, explosives, pharmaceuticals, and dyestuffs.
• EPA restricts benzene emission from specific point sources; maximum contaminant level in drinking water is 5 ppb; FDA prohibits the use of benzene in food; [ATSDR Case Studies]
• Metal Preparation and Pouring [Category: Foundry]
• Petroleum Production and Refining [Category: Industry]
• Working with Glues and Adhesives [Category: Other]
• Leather Tanning and Processing [Category: Industry]

Synonyms

benzene; 71-43-2; benzol; Cyclohexatriene; benzole; Pyrobenzole; Benzine; Coal naphtha; Pyrobenzol; Benzen; Phene; Phenyl hydride; Mineral naphtha; Benzolene; Bicarburet of hydrogen; Motor benzol

Frequently Asked Questions

What are the CAS number and molecular formula of Nitration?

CAS 26181-88-4; molecular formula C6H6; molecular weight — g/mol.

What other names is Nitration known by?

benzene, 71-43-2, benzol, Cyclohexatriene, benzole, Pyrobenzole.

What is the regulatory status of Nitration?

Documented regulatory listings: FDA Substance added to food: Use unspecified; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; EXTRACTION_SOLVENT: Food Additives.

Is Nitration classified as hazardous?

0.1% of GHS notifications report no hazard classification (2 of 1934).

What are the key physical properties of Nitration?

Boiling Point: 176.2 °F at 760 mmHg (NTP, 1992); Boiling Point: 80.08 °C; Boiling Point: 80.00 to 81.00 °C. @ 760.00 mm Hg; Boiling Point: 80 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.