17573-23-8 ((Benzo[a]pyrene,7,8-dihydro- (8CI,9CI))

快速询单

结构式：

Benzo[a]pyrene,7,8-dihydro- (8CI,9CI)MOL文件

CAS号：

17573-23-8

英文名称：

Benzo[a]pyrene,7,8-dihydro- (8CI,9CI)

分子式：

C₂₀H₁₄

分子量：

254.325165271759

Benzo[a]pyrene,7,8-dihydro- (8CI,9CI)(17573-23-8)名称与标识符

名称

英文别名：

Benzo[a]pyrene,7,8-dihydro- (8CI,9CI);7,8-dihydrobenzo(a)pyrene;7,8-dihydrobenzo[a]pyrene;7,8-Dihydro-benzo[def]chrysen;7,8-dihydro-benzo[def]chrysene;7,8-Dihydrobenzo< a> pyren;7,8-dihydrobenzo< a> pyrene;AC1L1FOA;AG-E-26142;BENZO(a)PYRENE, 7,8-DIHYDRO-;BRN 1965497;CCRIS 968;CTK4D5985;LS-39952;TI48OJX2PI;DTXSID80170013;PDZWPBIJXRAPEW-UHFFFAOYSA-N;17573-23-8;DIHYDROBENZO(A)PYRENE, 7,8-;UNII-TI48OJX2PI;

标识符

InChIKey：

PDZWPBIJXRAPEW-UHFFFAOYSA-N

Inchi：

1S/C20H14/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/h2-3,5-12H,1,4H2

SMILES：

C12C3=CC=C4C=CC=C(C=CC1=C1C=CCCC1=C3)C=24

Benzo[a]pyrene,7,8-dihydro- (8CI,9CI)(17573-23-8)物化性质

实验特性

LogP : 5.54340
PSA : 0
折射率 : 1.7040 (estimate)
沸点 : 332.54°C (rough estimate)
熔点 : 128°C
闪点 : 218.9°C
密度 : 1.1180 (estimate)

计算特性

精确分子量 : 254.10962
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 254.10955
重原子数量 : 20
复杂度 : 408
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 6.1
拓扑分子极性表面积 : 0

Benzo[a]pyrene,7,8-dihydro- (8CI,9CI)(17573-23-8)相关文献

1. The synthesis of 8- and 9-hydroxybenzo[a]pyrene and the role of the products in benzo[a]pyrene metabolism
P. Sims J. Chem. Soc. C 1968 32
2. Regeneration of pristine HZSM-5 extrudates during the production of deeply deoxygenated bio-oil from ex situ catalytic fast pyrolysis of biomass in a bench-scale fluidised-bed reactor
Nuttapan Promsampao,Nuwong Chollacoop,Adisak Pattiya React. Chem. Eng. 2022 7 398
3. The isomeric 9,10-oxides of trans-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene
Frederick A. Beland,Ronald G. Harvey J. Chem. Soc. Chem. Commun. 1976 84
4. Stable ion study of benzo[a]pyrene (BaP) derivatives: 7,8-dihydro-BaP, 9,10-dihydro-BaP and its 6-halo derivatives, 1- and 3-methoxy-9,10-dihydro- BaP-7(8H)-one, as well as the proximate carcinogen BaP 7,8-dihydrodiol and its dibenzoate, combined with a comparative DNA binding study of regioisomeric (1-, 4-, 2-) pyrenylcarbinols
Takao Okazaki,Kenneth K. Laali,Barbara Zajc,Mahesh K. Lakshman,Subodh Kumar,William M. Baird,Wan-Mohaiza Dashwood Org. Biomol. Chem. 2003 1 1509
5. Chemical tools for the generation and detection of singlet oxygen
Youngmin You Org. Biomol. Chem. 2018 16 4044
6. Enantioselective synthesis of the (+)-anti-7,8-dihydrodiol-9,10-epoxide of the potent carcinogen benzo[a]pyrene
Xiaoming Huang,Thomas M. Harris J. Chem. Soc. Chem. Commun. 1995 1699
7. Predicting the binding modes and sites of metabolism of xenobiotics
Goutam Mukherjee,Pancham Lal Gupta,B. Jayaram Mol. BioSyst. 2015 11 1914

56179-83-0(菲，1,2-二氢-) 60968-01-6(3,4-二氢苯[a]蒽) 799-87-1(对苯二酚硫酸钾) 800401-52-9(5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid) 800401-92-7(800401-92-7) 800394-83-6(1-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4H-pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea) 80096-57-7(C-(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-METHYLAMINE HYDROCHLORIDE) 79373-33-4(双环醇)

结构相似化合物

菲，1,2-二氢-
CAS: 56179-83-0
3,4-二氢苯[a]蒽
CAS: 60968-01-6
3-溴-4-(溴甲基)苯甲酸甲酯
CAS: 78946-25-5
6-氯-3-(三氟甲基)吡啶-2-胺
CAS: 79456-27-2
4-(3-甲基-1,2,4-氧杂二唑-5-基)哌啶盐酸盐
CAS: 795310-80-4
顺式-3-羟基环戊烷羧酸甲酯
CAS: 79598-73-5
4-(4-CHLOROPHENYL)-1H-PYRROLE-2-CARBOXYLIC ACID
CAS: 79600-86-5
brimonidine tartrate
CAS: 79570-19-7

960化工网为您提供Benzo[a]pyrene,7,8-dihydro- (8CI,9CI)专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.17573-23-8,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:17573-23-8 国际站:17573-23-8