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ChemicalBook--->CAS DataBase List--->192-97-2

192-97-2

192-97-2 Structure

192-97-2 Structure
IdentificationMore
[Name]

BENZO[E]PYRENE
[CAS]

192-97-2
[Synonyms]

1,2-BENZPYRENE
4,5-BENZOPYRENE
4,5-BENZPYRENE
BENZO[E]PYRENE
1,2-benzopyrene
9,10-Benzpyrene
Benz(e)pyrene
Benzo(l)pyrene
benzopyrene(non-specificname)
96405, Benzo[e]pyrene (purity)
BENZO (E) PYRENE, 25MG, NEAT
1,2-Benzpyrene, 4,5-Benzpyrene
Benzo[e]pyrene solution
[EINECS(EC#)]

205-892-7
[Molecular Formula]

C20H12
[MDL Number]

MFCD00003605
[Molecular Weight]

252.31
[MOL File]

192-97-2.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to yellow-green crystalline powder
[Melting point ]

177-180 °C(lit.)
[Boiling point ]

495.49°C (rough estimate)
[density ]

1.286
[vapor pressure ]

644 at 25 °C (subcooled liquid vapor pressure calculated from GC retention time data, Hinckley etal., 1990)
[refractive index ]

1.8530 (estimate)
[Fp ]

-18 °C
[storage temp. ]

APPROX 4°C
[solubility ]

Slightly soluble in methanol (Patnaik, 1992)
[form ]

neat
[pka]

>14 (Schwarzenbach et al., 1993)
[color ]

Prisms from C6H6
[Water Solubility ]

0.984ug/L(25 ºC)
[Merck ]

13,1105
[BRN ]

1911334
[Henry's Law Constant]

(x 10-7 atm?m3/mol): 4.84 at 25 °C (approximate - calculated from water solubility and vapor pressure)
[CAS DataBase Reference]

192-97-2(CAS DataBase Reference)
[IARC]

3 (Vol. 92, Sup 7) 2010
[EPA Substance Registry System]

Benzo[e]pyrene (192-97-2)
Safety DataBack Directory
[Hazard Codes ]

T,N,Xn,F
[Risk Statements ]

R45:May cause cancer.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R67:Vapors may cause drowsiness and dizziness.
R65:Harmful: May cause lung damage if swallowed.
R38:Irritating to the skin.
R11:Highly Flammable.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[RTECS ]

DJ4200000
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29029000
[Hazardous Substances Data]

192-97-2(Hazardous Substances Data)
[Toxicity]

mmo-sat 1 nmol/plate CNREA8 40,1985,80
Hazard InformationBack Directory
[General Description]

Colorless crystals or white crystalline solid.
[Reactivity Profile]

BENZO(E)PYRENE(192-97-2) may be sensitive to prolonged exposure to light.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Flash point data for this compound are not available. BENZO(E)PYRENE is probably combustible.
[Chemical Properties]

yellow to yellow-green crystalline powder
[Physical properties]

Crystalline, solid, prisms, or plates. Benzo[e]pyrene is sensitive to ultraviolet light and may degrade into diones.
[Uses]

Used for studies of immune suppressive activity of bezo[e]Pyrene on antibody response to DNP-Ficoll and sheep erythrocytes and "dispersive liquid -liquid micro extraction” technique by extracting organic compounds from water samples.
[Definition]

ChEBI: An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC.
[Health Hazard]

There is very little information available onits toxicity. The oral toxicity is expected to below. Its carcinogenic potential is lower thanthat of benz[a]pyrene. Animal studies gaveinconclusive results. Oral administration mayproduce tumors in the stomach. However, theevidence of carcinogenicity of this compoundin animals is inadequate. Benz[e]pyrene isa mutagen, testing positive to the histidinereversion–Ames test and in vitro unscheduled DNA synthesis (UDS)–human fibroblast.
[Safety Profile]

For occupational chemicalanalysis use NIOSH: Polynuclear Aromatic Hydrocarbons(HPLC), 5506; (GC), 5515.
[Source]

The concentration of benzo[e]pyrene in coal tar and the maximum concentration reported in groundwater at a mid-Atlantic coal tar site were 3,700 and 0.0034 mg/L, respectively (Mackay and Gschwend, 2001). Detected in 8 diesel fuels at concentrations ranging from 0.047 to 2.1 mg/L with a mean value of 0.113 mg/L (Westerholm and Li, 1994). Identified in Kuwait and South Louisiana crude oils at concentrations of 0.5 and 2.5 ppm, respectively (Pancirov and Brown, 1975).
Benzo[e]pyrene is produced from the combustion of tobacco and petroleum fuels. It also occurs in low octane gasoline (0.18–0.87 mg/kg), high octane gasoline (0.45–1.82 mg/kg), used motor oil (92.2–278.4 mg/kg), asphalt (≤0.0052 wt %), coal tar pitch (≤0.70 wt %), cigarette smoke (3 μg/1,000 cigarettes), and gasoline exhaust (quoted, Verschueren, 1983). Lehmann et al. (1984) reported a benzo[e]pyrene concentration of 0.02 mg/g in a commercial anthracene oil.
Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The particle-phase emission rates of benzo[e]pyrene were 0.459 mg/kg of pine burned, 0.231 mg/kg of oak burned, and 0.212 mg/kg of eucalyptus burned.
Particle-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 0.015 and 38.2 μg/km, respectively (Schauer et al., 2002).
[Environmental Fate]

Photolytic. Schwarz and Wasik (1976) reported a fluorescence quantum yield of ≈ 0.3 for benzo[e]pyrene in water.
Chemical/Physical. Benzo[e]pyrene will not hydrolyze because it has no hydrolyzable functional group.
[Purification Methods]

Purify it by passage through an Al2O3 column (Woelm, basic, activity I) and elute with *C6H6 and recrystallise from 2 volumes of EtOH/*C6H6 (4:1). It forms colourless or light yellow prisms or needles. [Campbell J Chem Soc 3659 1954, Buchta & Kr.ger Justus Liebigs Ann Chem 705 190 1967.] The 1,3,5-trinitrobenzene complex has m 253-254o (orange needles from EtOH), the picrate prepared by mixing 20mg in 1mL of *C6H6 with 20mg of picric acid in 2mL *C6H6, collecting the deep red crystals, and recrystallising from *C6H6 has m 228-229o [NMR: Cobb & Memory J Chem Phys 47 2020 1967]. [Beilstein 5 III 2520, 5 I V 2689.] CARCINOGEN.
[Toxics Screening Level]

The initial threshold screening level (ITSL) is 0.002 μg/m3 (annual averaging time) for benzo(e)pyrene.
Spectrum DetailBack Directory
[Spectrum Detail]

BENZO[E]PYRENE(192-97-2)MS
BENZO[E]PYRENE(192-97-2)1HNMR
BENZO[E]PYRENE(192-97-2)13CNMR
BENZO[E]PYRENE(192-97-2)IR1
BENZO[E]PYRENE(192-97-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzo[e]pyrene, 99%(192-97-2)
[Sigma Aldrich]

192-97-2(sigmaaldrich)
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