Benzo(e)pyrene supplier | CasNO.192-97-2

Name
Benzo[e]pyrene
EINECS 205-892-7
CAS No. 192-97-2
Article Data43
CAS DataBase
Density 1.286g/cm³
Solubility 0.984ug/L(25 oC)
Melting Point 177-180 °C(lit.)
Formula C₂₀H₁₂
Boiling Point 467.5°C at 760 mmHg
Molecular Weight 252.315
Flash Point 228.6°C
Transport Information
Appearance
Safety Questionable carcinogen with experimental tumorigenic data. Experimental teratogenic and reproductive effects. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Analytical Methods:

For occupational chemical analysis use NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.
Risk Codes 45-50/53-67-65-38-11
Molecular Structure
Hazard Symbols T,N,Xn,F
Synonyms 1,2-Benzopyrene;1,2-Benzpyrene;4,5-Benzopyrene;4,5-Benzpyrene;NSC 89273;
PSA 0.00000
LogP 5.73720

Synthetic route

: 68151-09-7
9-Hydroxy-1,2,3,6,7,8,9,10,11,12-decahydrobenzopyrene

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
palladium on activated charcoal at 300 - 320℃; for 2h;	86%

: 86439-17-0
cis-8b,9,10,11,12,12a-hexahydrobenzopyrene

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In toluene for 6h; Heating;	78%
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In toluene for 6h; Heating;	56%

: 121617-90-1
exo-4,5-dihydrobenzopyreno-2',3':4,5-norbornane

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
In gas under 0.01 - 0.05 Torr; sublimation at 150-200 degC, 4 h to a quartz tube of 800 degC;	69%

: 149296-39-9
spiro

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In toluene for 6h; Heating;	60%

: 77320-76-4
trans-4,5-Dihydroxy-4,5-divinyl-4,5-dihydropyrene

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With trichlorophosphate In pyridine for 0.166667h; Heating;	52%

: 157729-37-8
3-(4H-cyclopentaphenanthrylidene)-1,5-bis(trimethylsilyl)-1,4-pentadiyne

A: 129-00-0
pyrene

B: 192-97-2
benzo[e]pyrene

C: 203-64-5
4H-Cyclopenta[def]phenanthrene

D: 27208-37-3
cyclopenta[c,d]pyrene

E: 203-12-3
benzo[ghi]fluoranthene

F: 5821-51-2
Coarannulen

Conditions

Conditions	Yield
With hydrogen In gas at 900℃; Product distribution; electrically heated vertical laboratory tubular furnace;	A n/a B n/a C n/a D n/a E n/a F 15%

...Expand

: 157729-37-8
3-(4H-cyclopentaphenanthrylidene)-1,5-bis(trimethylsilyl)-1,4-pentadiyne

A: 129-00-0
pyrene

B: 192-97-2
benzo[e]pyrene

C: 27208-37-3
cyclopenta[c,d]pyrene

D: 5821-51-2
Coarannulen

Conditions

Conditions	Yield
With hydrogen In gas at 900℃; electrically heated vertical laboratory tubular furnace; Further byproducts given;	A n/a B n/a C n/a D 15%

...Expand

: 68151-08-6
9-Oxo-1,2,3,6,7,8,9,10,11,12-decahydrobenzopyrene

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With ethanol; sodium Erhitzen des Reaktionsprodukts mit Selen auf 320-340grad;

: 857580-09-7
6-propyl-benz[de]anthracen-7-one

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With zinc

: 613-31-0
9,10-dihydroanthracene

: 107-02-8
acrolein

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With hydrogen fluoride at 3 - 20℃; Destillation des Reaktionsprodukts in Gegenwart von Quecksilber;
With hydrogen fluoride at 3 - 20℃; Destillation des Reaktionsprodukts in Gegenwart von Quecksilber;

: 199-94-0
7H-benz[d,e]anthracene

: 1-dimethylamino-3-dimethylimonioprop-1-ene perchlorate

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With sodium methylate Multistep reaction;

: 114468-92-7
4-phenyl-2,3-phenantrenedicarboxylic acid anhydride

A: 192-97-2
benzo[e]pyrene

B: 4325-78-4
4-phenylphenanthrene

Conditions

Conditions	Yield
With silica gel at 950℃; for 1.4h; Mechanism;	A 84 % Chromat. B 12 % Chromat.

: 199-94-0
7H-benz[d,e]anthracene

: 1-dimethylamino-3-dimethylimonioprop-1-ene perchlorate

A: 50-32-8
benzopyrene

B: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With quinoline; sodium methylate 1.) RT, 3 h, 2.) 180 deg C, 16 h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

methyl chloride; methane; mixture of: methyl chloride; methane; mixture of

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With air Oxidation; Formation of xenobiotics;

polyethylene: polyethylene

A: 193-39-5
Indeno[1,2,3-cd]pyrene

B: 192-97-2
benzo[e]pyrene

C: 198-55-0
PERYLENE

D: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With air at 600 - 900℃; Oxidation; Formation of xenobiotics; Further byproducts given;

...Expand

waste wood chips: waste wood chips

A: 205-99-2
benzo[e]acephenanthrylene

B: 207-08-9
Benzo[k]fluoranthene

C: 218-01-9
chrysene

D: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With air Oxidation; Formation of xenobiotics; Further byproducts given;

...Expand

: 613-31-0
9,10-dihydroanthracene

: 107-02-8
acrolein

anhydrous HF: anhydrous HF

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
at 5 - 20℃; Erhitzen des Reaktionsprodukts mit Quecksilber;
at 5 - 20℃; Erhitzen des Reaktionsprodukts mit Quecksilber;

...Expand

(+-)-7-<1.2-dicarboxy-ethyl>-7H-benz<de>anthracene: (+-)-7-<1.2-dicarboxy-ethyl>-7H-benz<de>anthracene

A: 192-97-2
benzo[e]pyrene

B: 198-55-0
PERYLENE

Conditions

Conditions	Yield
With sodium chloride; zinc(II) chloride at 300℃;

potassium-salt of/the/ 4-phenyl-phenanthrene-2,3-dicarboxylic acid: potassium-salt of/the/ 4-phenyl-phenanthrene-2,3-dicarboxylic acid

A: 192-97-2
benzo[e]pyrene

B: 4325-78-4
4-phenylphenanthrene

Conditions

Conditions	Yield
With soda lime; copper Erhitzen unter vermindertem Druck;

: 64-17-5
ethanol

: 68151-08-6
9-Oxo-1,2,3,6,7,8,9,10,11,12-decahydrobenzopyrene

sodium: sodium

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
Erhitzen des Reaktionsprodukts mit Selen auf 320-340grad;

...Expand

: 857580-09-7
6-propyl-benz[de]anthracen-7-one

zinc-powder: zinc-powder

: 192-97-2
benzo[e]pyrene

: (7H-benz[de]anthracen-7-yl)-succinic acid

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

sodium chloride: sodium chloride

A: 192-97-2
benzo[e]pyrene

B: 198-55-0
PERYLENE

Conditions

Conditions	Yield
at 300℃;

...Expand

Eucalyptus grandis wood: Eucalyptus grandis wood

: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
Decomposition; Formation of xenobiotics; pyrolysis;

wood: wood

A: 120-12-7
anthracene

B: 206-44-0
fluoranthene

C: 50-32-8
benzopyrene

D: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With air Oxidation; Formation of xenobiotics; Further byproducts given;

...Expand

bituminous coal: bituminous coal

A: 91-20-3
naphthalene

B: 218-01-9
chrysene

C: 56-55-3
benz[a]anthracene

D: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With air at 800℃; Oxidation; Formation of xenobiotics; Further byproducts given. Title compound not separated from byproducts;

...Expand

small intercontinental ballistic missile propellant: small intercontinental ballistic missile propellant

A: 129-00-0
pyrene

B: 206-44-0
fluoranthene

C: 192-97-2
benzo[e]pyrene

D: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With oxygen at 1023.85 - 1161.85℃; Formation of xenobiotics; Further byproducts given. Title compound not separated from byproducts;

...Expand

standard missile deload propellant: standard missile deload propellant

A: 129-00-0
pyrene

B: 205-99-2
benzo[e]acephenanthrylene

C: 206-44-0
fluoranthene

D: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With oxygen at 1036.85 - 1162.85℃; Formation of xenobiotics; Further byproducts given. Title compound not separated from byproducts;

...Expand

: 115-10-6
Dimethyl ether

A: 129-00-0
pyrene

B: 193-39-5
Indeno[1,2,3-cd]pyrene

C: 192-97-2
benzo[e]pyrene

D: 203-64-5
4H-Cyclopenta[def]phenanthrene

Conditions

Conditions	Yield
With air at 840℃; under 19501.6 Torr; Formation of xenobiotics; high pressure combustion; Further byproducts given. Title compound not separated from byproducts;

...Expand

compressed natural gas: compressed natural gas

A: 129-00-0
pyrene

B: 91-20-3
naphthalene

C: 193-39-5
Indeno[1,2,3-cd]pyrene

D: 192-97-2
benzo[e]pyrene

Conditions

Conditions	Yield
With air at 880℃; under 18001.4 Torr; Formation of xenobiotics; high pressure combustion; Further byproducts given. Title compound not separated from byproducts;

...Expand

: 192-97-2
benzo[e]pyrene

: 26105-52-2
3-Bromobenzopyrene

Conditions

Conditions	Yield
With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride In chloroform at 20℃; for 3h;	96%
With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride In chloroform at 20℃; for 3h;	96%

: 192-97-2
benzo[e]pyrene

: 66788-08-7
benzopyrene-4,5-dione

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; Ru(2,4,13,15-tetraphenyl-1,5,12,16-tetraaza-tricyclo[14.2.2.06,11]eicosa-4,6(11),7,9,12-pentaene)Cl2 In acetonitrile for 6h; Reagent/catalyst; Irradiation;	80%
With sodium periodate; rhodium(III) chloride hydrate In dichloromethane; water; acetonitrile at 30 - 40℃;	38%
Multi-step reaction with 2 steps 1: (i) OsO4, Py, (ii) aq. NaHSO3, Py 2: DDQ View Scheme

: 192-97-2
benzo[e]pyrene

: 77508-03-3
3,6-Dibromobenzopyrene

Conditions

Conditions	Yield
With bromine In chlorobenzene for 0.25h; Ambient temperature;	78%
With bromine In chlorobenzene

: 42333-78-8
2,4,6-tri(4-pyridyl)-1,3,5-triazine

: 1039768-31-4
[Ru2(η6-p-cymene)2(C6H2O4)Cl2]

: 192-97-2
benzo[e]pyrene

: 2923-28-6
silver trifluoromethanesulfonate

: benzo[e]pyrene*[Ru6(p-cymene)6(2,4,6-tris(4-pyridyl)-1,3,5-triazine)2(2,5-dioxy-1,4-benzoquinonato)3](O3SCF3)6

Conditions

Conditions	Yield
In methanol byproducts: AgCl; a mixt. of complex and Ag-salt in methanol was stirred at room temp. for2 h, filtered, triazine-compound and aromatic molecule were added, the mixt. was stirred at room temp. for 24 h; the solvent was removed under vac., the residue was taken up in CH2Cl2, filtered, concd., diethyl ether was added; elem. anal.;	68%

...Expand

: 14104-20-2
silver tetrafluoroborate

: 52462-29-0
[ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2

: 192-97-2
benzo[e]pyrene

: [(η6-4,5-benzopyrene)(η6-4-(methylisopropyl)benzene)ruthenium(II)](BF4)2

Conditions

Conditions	Yield
In dichloromethane; acetone byproducts: AgCl; reaction under N2: addn. of AgBF4 to a soln. of Ru-complex in acetone, stirring for 15 min at room temp., filtn. to remove AgCl, evapn. of solvent under vac., addn. of CH2Cl2 along with the ligand, refluxing for 48 h; filtn., washing with CH2Cl2 and Et2O, elem. anal.;	56%

...Expand

: 85-44-9
phthalic anhydride

: 192-97-2
benzo[e]pyrene

: 5-(o-Carboxybenzoyl)-1,2-benzopyren

Conditions

Conditions	Yield
With aluminium trichloride In benzene

: 192-97-2
benzo[e]pyrene

: 95430-01-6
3,5,8,10-Tetrachlo-1,2-benzpyren

Conditions

Conditions	Yield
With chlorine

: 192-97-2
benzo[e]pyrene

: 92387-50-3
1,2,3,6,7,8,9,10,11,12-decahydrobenzopyrene

Conditions

Conditions	Yield
With sodium In pentan-1-ol

: 192-97-2
benzo[e]pyrene

: 6-Brom-benzopyren

Conditions

Conditions	Yield
With o-tetrachloroquinone; hydrogen bromide

: 192-97-2
benzo[e]pyrene

: 933-88-0
ortho-toluoyl chloride

: 5-

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane

: 192-97-2
benzo[e]pyrene

: 24909-10-2
cis-4,5-Dihydroxy-4,5-dihydrobenzopyrene

Conditions

Conditions	Yield
(i) OsO4, Py, (ii) aq. NaHSO3, Py; Multistep reaction;
With osmium(VIII) oxide In pyridine; benzene for 120h; in the dark;

: 192-97-2
benzo[e]pyrene

A: 77508-03-3
3,6-Dibromobenzopyrene

B: 26105-52-2
3-Bromobenzopyrene

Conditions

Conditions	Yield
With bromine In chlorobenzene for 0.5h; Product distribution; Ambient temperature; various amounts of bromine and times of the reaction;
With bromine In chlorobenzene for 0.5h; Ambient temperature; Yield given. Yields of byproduct given;

: 192-97-2
benzo[e]pyrene

A: 1-nitrobenzopyrene

B: 1-nitrobenzopyrene

Conditions

Conditions	Yield
With nitric acid at 0℃; for 90h; Yield given. Yields of byproduct given;

: 192-97-2
benzo[e]pyrene

A: 1-fluoro-benzo[e]pyrene

B: 4-fluoro-benzo[e]pyrene

C: 3-fluoro-benzo[e]pyrene

Conditions

Conditions	Yield
With N-fluoro-2,4-dinitroimidazole In 1,2-dichloro-ethane for 72h; Heating; Yield given; Yields of byproduct given. Title compound not separated from byproducts;

...Expand

Benzo(e)pyrene Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 (1983),p. 225.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 3 (1973),p. 137.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

Benzo(e)pyrene Analytical Methods

For occupational chemical analysis use NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.

Benzo(e)pyrene Specification

The IUPAC name of this chemical is Benzo(e)pyrene, and it has its cas register number 192-97-2. This is a kind of colorless crystals or white crystalline solid and is insoluble in water. Besides, its product categories are including a-banalytical standards; alpha sort; aromaticsalphabetic; ba - bhchemical class; hydrocarbons; neatsanalytical standards; pahsenvironmental standards.

The characteristics of this chemical are as following: (1)XLogP3: 6.4; (2)Exact Mass: 252.0939; (3)MonoIsotopic Mass: 252.0939; (4)Topological Polar Surface Area: 0; (5)Heavy Atom Count: 20; (6)Formal Charge: 0; (7)Complexity: 336; (8)Covalently-Bonded Unit Count: 1.

Use of Benzo(e)pyrene: Benzo(e)pyrene could react to produce 3,6-Dibromobenzo[e]pyrene, in the following condtion: reagent: Br2; solvent: chlorobenzene; reaction time: 15 mins; field: 78%; other condition: Ambient temperature.

Producing method of Benzo(e)pyrene: 9-Hydroxy-1,2,3,6,7,8,9,10,11,12-decahydrobenzo[e]pyrene could react to produce Benzo(e)pyrene, in the following condtion: catalytic agent: 10percent Pd/C; reaction time: 2 hours; reaction temp.: 300 - 320 ℃; field: 86%.

When you are dealing with this chemical, you should be very cautious. For being a kind of toxic chemical, it could at low levels cause damage to health, and may cause damage to health, and could even cause cance. Besides, it is dangerous for the environment, for it may present an immediate or delayed danger to one or more components of the environment, and may cause long-term adverse effects in the aquatic environment. What's more, it is highly flammable, for it may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should take the following instructions. Avoid exposure - obtain special instructions before using and avoid releasing to the environment and refer to special instructions/safety data sheet at the same time. Besides, if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible); If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label; And this material and its container must be disposed of as hazardous waste.

Additionally, you could obtain the molecular structure through converting the following datas:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4
(2)InChI: InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20
(14)19(13)17/h1-12H
(3)InChIKey: TXVHTIQJNYSSKO-UHFFFAOYSA-N

Product Name

Benzo[e]pyrene

Synthetic route

Benzo(e)pyrene Consensus Reports

Benzo(e)pyrene Analytical Methods

Benzo(e)pyrene Specification

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