Cas no 143265-29-6 (Benzo[a]pyrene-6-carbonitrile,3-nitro- (9CI))
![Benzo[a]pyrene-6-carbonitrile,3-nitro- (9CI) structure](https://ossimg.kuujia.com/scimg/143500/143265-29-6x500.png)
143265-29-6 structure
Product Name:Benzo[a]pyrene-6-carbonitrile,3-nitro- (9CI)
CAS No:143265-29-6
MF:C21H10N2O2
MW:322.316304683685
CID:230147
PubChem ID:197324
Update Time:2025-04-19
Benzo[a]pyrene-6-carbonitrile,3-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene-6-carbonitrile,3-nitro- (9CI)
- 3-nitrobenzo[a]pyrene-6-carbonitrile
- 3-Nitrobenzo(a)pyrene-6-carbonitrile
- DTXSID80162372
- Benzo(a)pyrene-6-carbonitrile, 3-nitro-
- 3-Nitro-6-cyanobenzo(a)pyrene
- 143265-29-6
-
- Inchi： 1S/C21H10N2O2/c22-11-18-14-4-2-1-3-13(14)15-7-5-12-6-10-19(23(24)25)17-9-8-16(18)21(15)20(12)17/h1-10H
- InChI Key： DIFBFDGFCNZAOW-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=CC=C3C4C=CC=CC=4C(C#N)=C4C=CC=1C2=C34)=O
Computed Properties
- Exact Mass: 322.0743
- Monoisotopic Mass: 322.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 605
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- Density: 1.46
- Boiling Point: 598.2°Cat760mmHg
- Flash Point: 315.6°C
- Refractive Index: 1.868
- PSA: 66.93
Benzo[a]pyrene-6-carbonitrile,3-nitro- (9CI) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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