CAS No.192-97-2,Benzo[e]pyrene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	192-97-2
Name:	Benzo[e]pyrene
Article Data:	43

Formula:	C₂₀H₁₂
Molecular Weight:	252.315
Synonyms:	1,2-Benzopyrene;1,2-Benzpyrene;4,5-Benzopyrene;4,5-Benzpyrene;NSC 89273;
EINECS:	205-892-7
Density:	1.286g/cm³
Melting Point:	177-180 °C(lit.)
Boiling Point:	467.5°C at 760 mmHg
Flash Point:	228.6°C
Solubility:	0.984ug/L(25 oC)
Hazard Symbols:	T,N,Xn,F
Risk Codes:	45-50/53-67-65-38-11
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.
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;

Raw Materials

68151-08-6

6217-22-7

64-17-5

107-02-8

129-00-0

613-31-0

115-10-6

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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.

Analytical Methods

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

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