![Benzo[a]pyrene structure, CAS 50-32-8](/structures/20000/16548_1_50_32_8.png)
CAS Number50-32-8
SynonymsUNII-3417WMA06D; Benzo[a]pyrene (Ames grade); Benzo[A]Pyrene; Benzo(d,e,f)chrysene; Benzo(a)pyrene; Benzo[a]pyren; benzo[1,2,5]thiadiazole-4-sulfonyl chloride; 2,1,3-benzothiadiazol-4-sulfonyl chloride; 3,4-Benzpyrene; 3,4-Benz(a)pyrene; 4,5-BENZPYRENE; 2,1,3-Benzothiadiazole,4-chlorosulfonyl; 3,4-benzopyrene; 2,1,3-benzothiadiazole-4-sulphonyl chloride; 1,2-Benzpyrene (VAN); Benzo[pqr]tetraphene; Benzopyrene; 4-Chlorosulfonyl-2,1,3-benzothiadiazole; 2,1,3-benzothiadiazole-4-sulfonylchloride; 3,4-Benzo(a)pyrene; Benzo-2,1,3-thiadiazole-4-sulphonyl chloride; Benzo[c][1,2,5]thiadiazole-4-sulfonyl chloride; EINECS 200-028-5; benz[a]pyrene; benzo[2,1,3]thiadiazole-4-sulfonyl chloride; 6,7-Benzopyrene; MFCD00003602; 1,2-Benzpyrene
Molecular FormulaC20H12
Molecular Weight252.31
Purity≥96 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point495 °C (lit.)
Melting Point177-180 °C (lit.)
Appearancesolid
EINECS200-028-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 50-32-8 |
| Catalog No. | 2A-9016548 |
| Chinese Name | 苯并[a]芘 |
| Synonyms | UNII-3417WMA06D; Benzo[a]pyrene (Ames grade); Benzo[A]Pyrene; Benzo(d,e,f)chrysene; Benzo(a)pyrene; Benzo[a]pyren; benzo[1,2,5]thiadiazole-4-sulfonyl chloride; 2,1,3-benzothiadiazol-4-sulfonyl chloride; 3,4-Benzpyrene; 3,4-Benz(a)pyrene; 4,5-BENZPYRENE; 2,1,3-Benzothiadiazole,4-chlorosulfonyl; 3,4-benzopyrene; 2,1,3-benzothiadiazole-4-sulphonyl chloride; 1,2-Benzpyrene (VAN); Benzo[pqr]tetraphene; Benzopyrene; 4-Chlorosulfonyl-2,1,3-benzothiadiazole; 2,1,3-benzothiadiazole-4-sulfonylchloride; 3,4-Benzo(a)pyrene; Benzo-2,1,3-thiadiazole-4-sulphonyl chloride; Benzo[c][1,2,5]thiadiazole-4-sulfonyl chloride; EINECS 200-028-5; benz[a]pyrene; benzo[2,1,3]thiadiazole-4-sulfonyl chloride; 6,7-Benzopyrene; MFCD00003602; 1,2-Benzpyrene |
| Molecular Formula | C20H12 |
| Molecular Weight | 252.31 |
| Purity | ≥96 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 495 °C (lit.) |
| Melting Point | 177-180 °C (lit.) |
| Appearance | solid |
| Water Solubility | Water solubility: insoluble; soluble in: benzene, |
| Storage Condition | Store in a cool, ventilated warehouse. Keep away f |
| Packaging | III |
| Application | Benzo[a]pyrene shows lung carcinogenicity in animal models, and they are frequently used in chemoprevention studies. |
| EINECS | 200-028-5 |
| HTC | 2902909090 |
| UN(IATA) | UN 1145 |
| PubChem ID | 24891610 |
| MDL Number | MFCD00003602 |
| SMILES | c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45 |
| 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 |
| InChI Key | FMMWHPNWAFZXNH-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1911333 |
| NACRES Code | NA.25 |
| UNSPSC | 12352005 |
| Hazard Symbols | 6.1 |
| Risk Codes | R45;R11;R38;R50/53;R65;R67 |
| Safety Description | S53;S45;S61;S62 |
| MSDS | msds/16548_1_50_32_8.pdf |
| Bioactivity | Benzo[a]pyrene shows lung carcinogenicity in animal models, and it is frequently used in chemoprevention studies. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Cancer In Vivo Statistically significant decrease is observed at 7 weeks in females receiving 1.0 mg Benzo[a]pyrene (B[a]P) compare with the vehicle group. As lung tumorigenesis induced by Benzo[a]pyrene is dose dependent in female A/J mice. The incidence of hyperplasia values in females treating with 0.25, 0.50, and 1.0 mg Benzo[a]pyrene are significantly higher than in the vehicle-treated group. The incidence of adenoma in females receiving 1.0 mg Benzo[a]pyrene is significantly higher than in the vehicle group. The multiplicity of hyperplasia in females receiving 0.50 or 1.0 mg Benzo[a]pyrene is significantly higher than in the vehicle group. The multiplicity of adenoma in the group treated with 1.0 mg is also significantly higher than in the vehicle group. The incidences of hyperplasia and adenoma in female A/J mice are significantly increased by Benzo[a]pyrene in a dose-dependent manner[1]. Benzo[a]pyrene induces an average of 9.38±1.75 tumors with an average tumor load of 19.53±3.81 mm3 (P<0.05 compare to control). Benzo[a]pyrene administration significantly (P<0.05) decreases cAMP levels in tumors with adjacent lung tissues. The expression level of PDE4D gene is also increased by Benzo[a]pyrene administration[2]. Animal Admin Female A/J mice are randomized into eight groups (n=8): (i) control; (ii)Benzo[a]pyrene (B(a)P)+vehicle (methocel); (iii) Benzo[a]pyrene+roflumilast 1 mg/kg; (iv) Benzo[a]pyrene+roflumilast 5 mg/kg; (v) Benzo[a]pyrene+aerozolie phosphate-buffer saline (PBS); (vi) Benzo[a]pyrene+aerosolize budesonide 2.25 mg/mL; (vii) Benzo[a]pyrene+aerosolized budesonide 2.25 mg/mL+roflumilast 1 mg/kg; and (viii) Benzo[a]pyrene+aerosolize budesonide 2.25 mg/mL+roflumilast 5 mg/kg groups. A single dose of Benzo[a]pyrene in corn oil is given intraperitoneally once at 100 mg/kg body weight. Roflumilast (1 or 5 mg/kg) is started 2 weeks after Benzo[a]pyrene. It is continued for 26 weeks (3 days/week) via oral gavage. Mice in the Benzo[a]pyrene+vehicle group are treated with an equal volume of methocel as solvent control. Aerosolizing budesonide is administrated by inhaling route as an aerosol at a dose of 2.25 mg/mL for 2 min per application at 2 weeks after Benzo[a]pyrene. It is continued for 26 weeks (5 days/week). PBS is also used as solvent control by inhaling route after Benzo[a]pyrene administration in the Benzo[a]pyrene+PBS group. Mice are killed at 28 weeks after exposure to Benzo[a]pyrene. Their lungs are excised and stored at -70 °C[2]. References [1]. Saeko Onami, et al. Dosimetry for lung tumorigenesis induced by urethane, 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone (NNK), and benzo[a]pyrene (B[a]P) in A/JJmsSlc mice. J Toxicol Pathol. 2017 Jul; 30(3): 209-216. [2]. Yeo CD, et al. Roflumilast treatment inhibits lung carcinogenesis in benzo(a)pyrene-induced murine lung cancer model. Eur J Pharmacol. 2017 Oct 5;812:189- Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 495.0±0.0 °C at 760 mmHg Melting Point 177-180°C Molecular Formula C20H12 Molecular Weight 252.309 Flash Point 228.6±13.7 °C Exact Mass 252.093903 LogP 6.40 Vapour Pressure 0.0±0.6 mmHg at 25°C Index of Refraction 1.887 InChIKey FMMWHPNWAFZXNH-UHFFFAOYSA-N SMILES c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 Stability Stable. Incompatible with strong oxidizing agents. |
| Use of | Benzo[a]pyrene shows lung carcinogenicity in animal models, and it is frequently used in chemoprevention studies. Properties Articles167 Name benzo[a]pyrene Synonym More Synonyms Benzo(a)pyrene Biological Activity Description Benzo[a]pyrene shows lung carcinogenicity in animal models, and it is frequently used in chemoprevention studies. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Cancer References [1]. Saeko Onami, et al. Dosimetry for lung tumorigenesis induced by urethane, 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone (NNK), and benzo[a]pyrene (B[a]P) in A/JJmsSlc mice. J Toxicol Pathol. 2017 Jul; 30(3): 209-216. [2]. Yeo CD, et al. Roflumilast treatment inhibits lung carcinogenesis in benzo(a)pyrene-induced murine lung cancer model. Eur J Pharmacol. 2017 Oct 5;812:189- Chemical & Physical Properties Molecular Formula C20H12 Exact Mass 252.093903 Index of Refraction 1.887 InChIKey FMMWHPNWAFZXNH-UHFFFAOYSA-N Stability Stable. Incompatible with strong oxidizing agents. |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 2.0%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Chemical name |
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