319953

Benzene

ACS reagent, ≥99.0%

• Empirical Formula (Hill Notation): C₆H₆
• CAS Number: 71-43-2
• Molecular Weight: 78.11
• Beilstein: 969212
• EC Number: 200-753-7
• MDL number: MFCD00003009
• UNSPSC Code: 12352002
• PubChem Substance ID: 329753940
• NACRES: NA.21
• grade: ACS reagent
• bp: 80 °C (lit.)
• vapor pressure: 166 mmHg ( 37.7 °C); 74.6 mmHg ( 20 °C)

Properties

• grade: ACS reagent
• Quality Level: 200
• vapor density: 2.77 (vs air)
• vapor pressure: 166 mmHg ( 37.7 °C); 74.6 mmHg ( 20 °C)
• Assay: ≥99.0%
• form: liquid
• autoignition temp.: 1043 °F
• expl. lim.: 8 %
• dilution: (for analytical testing)
• impurities: H₂SO₄, passes test (darkened); thiophene, passes test (limit ∼1ppm); ≤0.005% S compounds; ≤0.05% water (Karl Fischer)
• evapn. residue: ≤0.001%
• color: APHA: ≤10
• refractive index: n20/D 1.501 (lit.)
• bp: 80 °C (lit.)
• mp: 5.5 °C (lit.)
• density: 0.874 g/mL at 25 °C (lit.)
• SMILES string: c1ccccc1
• InChI: 1S/C6H6/c1-2-4-6-5-3-1/h1-6H
• InChI key: UHOVQNZJYSORNB-UHFFFAOYSA-N

Description

General description

Benzene is a monocyclic aromatic compound used as a solvent in chemical reactions. It is an essential raw material for fuels, rubber and plastics products, detergents, pesticides, and pharmaceuticals.

Application

Benzene can be used as a solvent in the:

• Heck Reaction of vinyl bromides with styrenes to synthesize functionalized 1,3-dienes.
• Gallium-catalyzed reductive lactonization of γ-keto acids to γ-lactone derivatives.
• Anionic polymerization of styrene and 1,3-butadiene in the presence of phosphazene as a base.

Safety Information

• Pictograms: GHS02,GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H304,H315,H319,H340,H350,H372,H412
• Precautionary Statements: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
• Target Organs: Blood
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 12.2 °F
• Flash Point(C): -11 °C