Cas no 53563-56-7 (1,2-dibromo-3-phenoxybenzene)
1,2-dibromo-3-phenoxybenzene structure
Product Name:1,2-dibromo-3-phenoxybenzene
CAS No:53563-56-7
MF:C12H8Br2O
MW:327.999321937561
CID:1583372
PubChem ID:185745
Update Time:2025-04-21
1,2-dibromo-3-phenoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- 1,2-dibromo-3-phenoxybenzene
- dibromodiphenyl ether
- 53563-56-7
- DTXSID201334117
- UNII-XZF81RMD4E
- PBDE 5
- Benzene, 1,2-dibromo-3-phenoxy-
- JTYRXXKXOULVAP-UHFFFAOYSA-N
- SCHEMBL573706
- Q27282851
- UNII-L921VU5R3L
- 2,3-Dibromodiphenyl ether
- dibromo diphenyl ether
- XZF81RMD4E
- L921VU5R3L
- 446254-14-4
- Diphenyl ether, dibromo-
-
- Inchi： 1S/C12H8Br2O/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8H
- InChI Key： JTYRXXKXOULVAP-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=CC=1OC1C=CC=CC=1)Br
Computed Properties
- Exact Mass: 325.89414
- Monoisotopic Mass: 325.894
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 192
- 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: 4.8
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.704g/cm3
- Boiling Point: 335.2oC at 760 mmHg
- Flash Point: 136.1oC
- Refractive Index: 1.625
- PSA: 9.23
- LogP: 5.00390
1,2-dibromo-3-phenoxybenzene Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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