Cas no 89226-81-3 (Benzene, 1,2-bis(dibromomethyl)-4-fluoro-)
89226-81-3 structure
Product Name:Benzene, 1,2-bis(dibromomethyl)-4-fluoro-
CAS No:89226-81-3
MF:C8H5Br4F
MW:439.739702939987
CID:607784
PubChem ID:13255253
Update Time:2025-04-19
Benzene, 1,2-bis(dibromomethyl)-4-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2-bis(dibromomethyl)-4-fluoro-
- 1,2-bis(dibromomethyl)-4-fluorobenzene
- 89226-81-3
- DTXSID00532235
- SCHEMBL6279472
-
- Inchi： 1S/C8H5Br4F/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3,7-8H
- InChI Key： BGYOJYXDVCYTPC-UHFFFAOYSA-N
- SMILES： BrC(C1C=C(C=CC=1C(Br)Br)F)Br
Computed Properties
- Exact Mass: 435.71100
- Monoisotopic Mass: 435.71088g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 162
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- Color/Form: Not available
- Melting Point: 92-97 °C
- PSA: 0.00000
- LogP: 5.14050
- Solubility: Not available
Benzene, 1,2-bis(dibromomethyl)-4-fluoro- Security Information
- Hazard Category Code： 34-22
- Safety Instruction： 45-36/37/39-26
-
Hazardous Material Identification：
Benzene, 1,2-bis(dibromomethyl)-4-fluoro- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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