32212

Benzene

puriss. p.a., reag. Ph. Eur., ≥99.7%

• Empirical Formula (Hill Notation): C₆H₆
• CAS Number: 71-43-2
• Molecular Weight: 78.11
• Beilstein/REAXYS Number: 969212
• EC Number: 200-753-7
• MDL number: MFCD00003009
• UNSPSC Code: 12352002
• PubChem Substance ID: 329754103
• NACRES: NA.21

Properties

• agency: ISO; USP/NF; reag. Ph. Eur.
• vapor density: 2.77 (vs air)
• vapor pressure: 166 mmHg ( 37.7 °C); 74.6 mmHg ( 20 °C)
• grade: puriss. p.a.
• assay: ≥99.7%
• form: liquid
• autoignition temp.: 1043 °F
• expl. lim.: 8 %
• impurities: ≤0.0002% free alkali (as NH₃); ≤0.0004% free acid (as HCl); ≤0.001% non-volatile matter; ≤0.03% water (Karl Fischer); ≤1 ppm thiophene
• color: APHA: ≤10
• refractive index: n20/D 1.5000-1.5020; n20/D 1.501 (lit.)
• bp: 80 °C (lit.)
• mp: 5.5 °C (lit.)
• transition temp: solidification point ≥5.2 °C
• density: 0.874 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.01 mg/kg; Fe: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.01 mg/kg; Sn: ≤0.1 mg/kg; Zn: ≤0.01 mg/kg
• 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 widely used as a solvent. Its emission from various tropical biomass species has been investigated. GC/MS determination indicated that benzene is one of the major contributor for biomass burning emission factor. Its electronic spectra has been investigated by CNDO method. Microwave spectra of isotopic 1:1 clusters of benzene with water (H₂O, D₂O and HDO) has been investigated.

Application

Benzene may be employed in the preparation of carbon fibers, via pyrolysis along with hydrogen at about 1100°C. It was used in the preparation of highly conductive molecular junctions. These junctions were fabricated by direct binding of benzene molecules to the Pt electrodes without using anchoring groups.

Other Notes

Pertains only in Germany: unversteuert

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H304,H315,H319,H340,H350,H372,H412
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 12.2 °F
• flash_point_c: -11 °C