CAS No.50-32-8,Benzo[a]pyrene Suppliers,MSDS download

Products Categories

Pharmaceutical (71)
Organic Chemicals (21)
Others (19)
Reagent (6)
Plant Extract (3)
(1)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	50-32-8
Name:	Benzo[a]pyrene
Article Data:	79

Formula:	C₂₀H₁₂
Molecular Weight:	252.315
Synonyms:	3,4-Benz[a]pyrene;3,4-Benzopyrene;3,4-Benzpyrene;3,4-Benzpyrene (carcinogen);4,5-Benzpyrene;6,7-Benzopyrene;BaP;Benzo[d,e,f]chrysene;NSC21914;
EINECS:	200-028-5
Density:	1.287 g/cm³
Melting Point:	176 ºC
Boiling Point:	494.998 ºC at 760 mmHg
Flash Point:	228.566 ºC
Solubility:	Insoluble in water
Appearance:	yellow to brown powder.
Hazard Symbols:	T,N,F
Risk Codes:	45-46-50/53-60-61-43-67-66-36-11-65-38
Safety:	45-53-61-60-26-62
Transport Information:	UN 1145
PSA:	0.00000
LogP:	5.73720

Synthetic route

: 2-[2,6-di(2-methoxyethenyl)phenyl]naphthalene

: 50-32-8
benzopyrene

Conditions

Conditions	Yield
With bismuth(lll) trifluoromethanesulfonate In 1,2-dichloro-ethane at 25℃; for 2h; Inert atmosphere; Schlenk technique;	90%
With methanesulfonic acid In dichloromethane at 0℃;	57%

: 1393794-15-4
5-ethynylchrysene

: 50-32-8
benzopyrene

Conditions

Conditions	Yield
With platinum(II) chloride In toluene at 80℃;	65%

: 17573-15-8
9,10-dihydro benzopyrene

: 50-32-8
benzopyrene

Conditions

Conditions	Yield
palladium on activated charcoal at 300 - 305℃;	60%
With KO2; 18-crown-6 ether In N,N-dimethyl-formamide for 20h; Ambient temperature;	86 % Chromat.

: 56182-92-4
cis-4,5-Diacetoxy-4,5-dihydrobenzopyrene

A: 50-32-8
benzopyrene

B: 56182-98-0
4-Acetoxybenzopyrene

C: 24027-82-5
5-Acetoxybenzopyrene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 4h; Heating;	A n/a B 30% C 11%

...Expand

: 18067-44-2
1,8-bis(ethynyl)naphthalene

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 50-32-8
benzopyrene

Conditions

Conditions	Yield
With fluoride In tetrahydrofuran Ambient temperature;	30%

: Benzopyrene radical cation perchlorate

A: 50-32-8
benzopyrene

B: 59417-86-6
6-fluorobenzopyrene

Conditions

Conditions	Yield
With Tetramethylammonium dihydrogen trifluoride In acetonitrile for 1h;	A n/a B 25%

: 1608-42-0
benzenedizolium-2-carboxylate

: 18067-44-2
1,8-bis(ethynyl)naphthalene

: 50-32-8
benzopyrene

Conditions

Conditions	Yield
In 1,2-dichloro-ethane Heating;	23%

: Benzopyrene radical cation tetrafluoroborate

A: 50-32-8
benzopyrene

B: 59417-86-6
6-fluorobenzopyrene

Conditions

Conditions	Yield
With Tetramethylammonium dihydrogen trifluoride In acetonitrile for 1h;	A n/a B 20%

: 37574-47-3, 72010-12-9, 72010-13-0
4,5-dihydro(epoxy) benzopyrene

: 50-32-8
benzopyrene

Conditions

Conditions	Yield
With tetraphenylporphinatoiron(II)(pyridine)2 for 60h; Ambient temperature;	8%

: 61441-28-9
1,6,10b,11,12,12a-hexahydro-2H-benzo[def]chrysen-3-one

: 50-32-8
benzopyrene

Conditions

Conditions	Yield
With potassium hydroxide; hydrazine hydrate; diethylene glycol Erhitzen des Reaktionsprodukts an Palladium auf 300-320grad;

Raw Materials

64-19-7

Downstream Products

Total:104 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 50-32-8

Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2A 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 Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 (1983),p. 211.(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) ; IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 3 (1973),p. 91.(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) . Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 0.2 mg/m³

Analytical Methods

For occupational chemical analysis use OSHA: #ID-58 or NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.

Specification

The Benzo[a]pyrene, with the CAS registry number 50-32-8, is also known as 1,2-Benzpyrene. It belongs to the product categories of Industrial/Fine Chemicals; Benzo(a)pyrene and other PAH; Organics; Analytical Chemistry; Environmental Endocrine Disruptors; Estradiol, etc. (Environmental Endocrine Disruptors); Highly Purified Reagents; Other Categories; Refined Products by Sublimation; A-BAnalytical Standards; Aromatics Alphabetic; BA - BHChemical Class; Chemical Class; Hydrocarbons; Neats Analytical Standards; PAHs Environmental Standards; PAHs More...Close...; A-B Alphabetic; Alpha Sort; B; A - BH Environmental Standards; PAHs;Volatiles/ Semivolatiles. Its EINECS registry number is 200-028-5. This chemical's molecular formula is C₂₀H₁₂ and molecular weight is 252.31. What's more, its IUPAC name is the same with its product name. This chemical is a five-ring polycyclic aromatic hydrocarbon whose metabolites are mutagenic and highly carcinogenic. It is is mutagenic and highly carcinogenic.It is a potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.

Physical properties about Benzo[a]pyrene are:
(1)ACD/LogP: 6.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.188; (4)ACD/LogD (pH 7.4): 6.188; (5)ACD/BCF (pH 5.5): 29700.127; (6)ACD/BCF (pH 7.4): 29700.127; (7)ACD/KOC (pH 5.5): 55358.594; (8)ACD/KOC (pH 7.4): 55358.594; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.887; (14)Molar Refractivity: 90.307 cm³; (15)Molar Volume: 196.094 cm³; (16)Surface Tension: 63.485 dyne/cm; (17)Density: 1.287 g/cm³; (18)Flash Point: 228.566 °C; (19)Enthalpy of Vaporization: 73.351 kJ/mol; (20)Boiling Point: 494.998 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Benzo[a]pyrene:
This chemical can be prepared by 9,10-Dihydro-benzo[def]chrysene. This reaction needs solvent dimethylformamide at ambient temperature. The reaction time is 20 hours. The yield is 86 %.
Benzo[a]pyrene can be prepared by 9,10-Dihydro-benzo[def]chrysene.

Uses of Benzo[a]pyrene:
(1) it is used to determine chemical lipid and used for calibrating instrument and device; (2) it is used to produce other chemicals. For example, it can produce 4,5-Dihydro-benzo[def]chrysene. The reaction occurs with reagent H₂ and solvent ethyl acetate at ambient temperature. The yield is 100 %.
Benzo[a]pyrene can produce 4,5-Dihydro-benzo[def]chrysene.

Safety information of Benzo[a]pyrene:
When you are dealing with Benzo[a]pyrene, you should be very careful. This chemical may present an immediate or delayed danger to one or more components of the environment. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. In addition, it is irritating to eyes, skin and at low levels cause damage to health. It may cause harm to the unborn child and may cause lung damage if swallowed. Repeated exposure may cause your skin dryness or cracking and its vapours may cause drowsiness and dizziness. Therefore, you should avoid exposuring and releasing to the environment. This material and its container must be disposed of as hazardous waste. If swallowed, you can not induce vomiting and you can seek medical advice immediately and show this container or label. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5
(2) InChI: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
(3) InChIKey: FMMWHPNWAFZXNH-UHFFFAOYSA-N

The toxicity data of Benzo[a]pyrene is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
frog	LDLo	intrarenal	9mg/kg (9mg/kg)	Cancer Research. Vol. 24, Pg. 1969, 1964.
mouse	LDLo	intraperitoneal	500mg/kg (500mg/kg)	Toxicology and Applied Pharmacology. Vol. 23, Pg. 288, 1972.
rat	LD50	subcutaneous	50mg/kg (50mg/kg)	Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.