![Chemical structure of Benzo[a]pyrene, CAS 50-32-8](https://api.angenesci.com/structure/1176/50-32-8.png)
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| CAS Number | 50-32-8 |
| Catalog Number | AG0037RB(AGN-PC-00PSTF) |
| Chemical Name | Benzo[a]pyrene |
| EC Number | 200-028-5 |
| IUPAC Name | benzo[a]pyrene |
| 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 |
| InChI Key | FMMWHPNWAFZXNH-UHFFFAOYSA-N |
| MDL Number | MFCD00003602 |
| Molecular Formula | C20H12 |
| Molecular Weight | 252.3093 |
| NSC Number | 21914 |
| RTECS Number | DJ3675000 |
| SMILES | C1=CC=C2C=CC=3C=C4C(=C5C=CC1=C2C53)C=CC=C4 |
| UN Number | 3077 |
| UNII | 3417WMA06D |
| Synonyms | 3,4 Benzopyrene,
3,4 Benzpyrene,
3,4-Benzopyrene,
3,4-Benzpyrene,
Benzo(a)pyrene,
benzo[a]pyrene,
50-32-8,
3,4-Benzopyrene,
benzo[pqr]tetraphene,
BENZO(A)PYRENE,
3,4-Benzpyrene,
Benzpyrene,
benzo[def]chrysene,
6,7-Benzopyrene,
Benz[a]pyrene,
3,4-BP,
3,4-Benz[a]pyrene,
3,4-Benzopirene,
3,4-Benzpyren,
Benzo[d,e,f]chrysene,
Benz(a)pyrene,
(B(a)P),
B(a)P,
BP,
3,4 Benzpyrene,
RCRA waste number U022,
3,4-Benz(a)pyrene,
Benzo(d,e,f)chrysene,
NSC 21914,
3,4-Benzo(a)pyrene,
B[a]p,
3,4-Benzpyren [German],
Benzo[A]-Pyrene,
CCRIS 76,
Benzo(def)chrysene,
3,4-benzylpyrene,
3,4-Benzopirene [Italian],
UNII-3417WMA06D,
CHEBI:29865,
HSDB 2554,
FMMWHPNWAFZXNH-UHFFFAOYSA-N,
EINECS 200-028-5,
RCRA waste no. U022,
CHEMBL31184,
AI3-50461,
3417WMA06D,
MFCD00003602,
Coal tar pitch volatiles: benzo(a)pyrene,
Benzo(a)pyrene [Polycyclic aromatic compounds],
Benzo(a)pyrene [Polycyclic aromatic hydrocarbons],
3,4 Benzopyrene,
Benzo[a]pyrene (BaP),
Benzo(a)pyrene radical cation,
3,4-Benzypyrene,
Benzo(a)pyrene, radical ion(1+),
Benzo(a)pyrene, radical ion(1-),
Benzo[d,f]chrysene,
Benzo(a)pyrene, labeled with tritium,
Benzo Pyrene[BAP],
Benzo(3,4)pyrene, radical ion(1+),
Spectrum_001871,
Benzo[a]pyrene solution,
ACMC-209sok,
SpecPlus_000953,
AC1Q1HKZ,
DSSTox_CID_139,
Spectrum2_001081,
Spectrum3_001695,
Spectrum4_000609,
Spectrum5_001824,
Epitope ID:117721,
AC1L1DG9,
DSSTox_RID_75392,
DSSTox_GSID_20139,
BSPBio_003250,
KBioGR_001138,
KBioSS_002390,
KSC269M1J,
MLS002695983,
BIDD:ER0497,
DivK1c_007049,
SPBio_001122,
3,4-Benzopyrene (carcinogen),
DTXSID2020139,
CTK1G9614,
KBio1_001993,
KBio2_002385,
KBio2_004953,
KBio2_007521,
KBio3_002470,
HMS3089C04,
NSC21914,
ZINC1530818,
Benzo[a]pyrene, >=96% (HPLC),
Tox21_200710,
ANW-41442,
BDBM50137506,
CCG-39759,
LS-139,
NSC-21914,
SBB061395,
AKOS015907666,
3,4-Benzopyrene(purifiedbysublimation),
AM61580,
CB-1807,
CS-7789,
MCULE-1109963029,
RTR-017988,
CAS-50-32-8,
WLN: L D6 B6666 2AB TJ,
NCGC00178185-01,
NCGC00178185-02,
NCGC00258264-01,
34505-58-3,
42299-33-2,
6699-27-0,
AJ-26702,
AK-49838,
AN-41549,
BR-49838,
CC-24344,
CJ-05216,
CJ-24042,
EN002216,
NCI60_001824,
SC-08054,
SMR000393676,
SY048151,
AX8115689,
DB-071166,
HY-107377,
TR-017988,
4CH-007056,
B0085,
Benzo[a]pyrene 10 microg/mL in Acetonitrile,
FT-0614185,
ST24030136,
ST45022245,
W6563,
Benzo[a]pyrene 100 microg/mL in Acetonitrile,
Benzo[a]pyrene 100 microg/mL in Cyclohexane,
MFCD00003602 (95%),
4809-EP2270014A1,
4809-EP2270895A2,
4809-EP2272517A1,
4809-EP2277880A1,
4809-EP2277898A2,
4809-EP2278637A1,
4809-EP2284157A1,
4809-EP2292088A1,
4809-EP2292610A1,
4809-EP2292630A1,
4809-EP2295424A1,
4809-EP2295428A2,
4809-EP2298735A1,
4809-EP2298744A2,
4809-EP2298780A1,
4809-EP2302015A1,
4809-EP2305250A1,
4809-EP2305689A1,
4809-EP2305825A1,
4809-EP2308852A1,
4809-EP2311820A1,
4809-EP2316827A1,
4809-EP2316836A1,
4809-EP2316937A1,
4809-EP2371805A1,
4809-EP2374895A1,
C07535,
J10073,
S-4361,
A828066,
A828067,
Benzo[a]pyrene, vial of 1 g, analytical standard,
C-29981,
I14-2877,
BRD-K09668667-001-02-0,
Benzo[a]pyrene, certified reference material, TraceCERT(R),
UNII-0TNN3Q0D4D component FMMWHPNWAFZXNH-UHFFFAOYSA-N,
Benzo[a]pyrene, analytical standard, for environmental analysis,
BENZO(A)PYRENE (SEE ALSO: BENZO(E)PYRENE (CAS 192-97-2)),
Benzo[a]pyrene solution, 100 mug/mL in cyclohexane, analytical standard,
Benzo[a]pyrene solution, certified reference material, 100 mug/mL in methylene chloride,
Benzo[a]pyrene solution, certified reference material, TraceCERT(R), 1000 mug/mL in acetone,
Benzo[a]pyrene solution, certified reference material, TraceCERT(R), 200 mug/mL in methylene chloride,
pentacyclo[10.6.2.0(2),?.0?,(1)?.0(1)?,(2)?]icosa-1,3,5,7,9,11,13,15,17,19-decaene,
4,5-Benzpyrene,
Benzopyrene,
1,2-Benzpyrene,
Benzopyrenes,
Benzo [a] pireno,
Benzo(a)pyrene {B(a)P},
Benzo[a]pyrene, 96% 100mg,
CID2336,
C20H12,
benzo[a]pyrene; benzo[def]chrysene,
Benzo[a]pyrene, 96% - 1G 1g,
AR-1H7844,
c0950,
NA3077,
NA3082,
UN3077,
UN3082,
C20-H12,
CS-T-05163,
Benzo(a)pyrene; (Coal tar pitch volatiles),
Benzo(a)pyrene; (Coal tar pitch volatiles),
BaP,
D001564,
D001580,
86603-96-5,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.316g/mol |
| Monoisotopic Mass | 252.094g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
| Symbol: | |
| Hazard Class | 9 |
| Hazard statements | H317-H340-H350-H360-H410 |
| Packing Group | Ⅲ |
| Precautionary statements | P201-P280-P308+P313 |
| UN Code | UN 3077 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

