Cas no 100466-04-4 (1H-Benzo[hi]chrysene,2,3-dihydro- (9CI))
![1H-Benzo[hi]chrysene,2,3-dihydro- (9CI) structure](https://ossimg.kuujia.com/scimg/100500/100466-04-4x500.png)
100466-04-4 structure
Product Name:1H-Benzo[hi]chrysene,2,3-dihydro- (9CI)
CAS No:100466-04-4
MF:C21H16
MW:268.351745605469
CID:171709
PubChem ID:3063315
Update Time:2025-04-19
1H-Benzo[hi]chrysene,2,3-dihydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzo[hi]chrysene,2,3-dihydro- (9CI)
- 1:12-Trimethylene-chrysene
- 100466-04-4
- 2,3-Dihydro-1H-benzo(hi)chrysene
- 5:10-Trimethylene-1:2-benzanthracene
- 1H-Benzo(hi)chrysene, 2,3-dihydro-
- DTXSID00143305
-
- Inchi： 1S/C21H16/c1-2-9-17-14(5-1)11-12-18-19-10-4-7-15-6-3-8-16(21(15)19)13-20(17)18/h1-3,5-6,8-9,11-13H,4,7,10H2
- InChI Key： LOIGUFIVQGDJRT-UHFFFAOYSA-N
- SMILES： C12=C3C=CC4C=CC=CC=4C3=CC3=CC=CC(CCC1)=C23
Computed Properties
- Exact Mass: 268.12528
- Monoisotopic Mass: 268.125
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 386
- 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: 6.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.214
- Boiling Point: 508.1°Cat760mmHg
- Flash Point: 254.2°C
- Refractive Index: 1.771
- PSA: 0
- LogP: 5.63490
1H-Benzo[hi]chrysene,2,3-dihydro- (9CI) Security Information
- Safety Term：CHRYSENE."> Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and fumes. See also CHRYSENE.
1H-Benzo[hi]chrysene,2,3-dihydro- (9CI) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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