Cas no 58170-31-3 (Phenol,dibromodimethyl- (9CI))
Phenol,dibromodimethyl- (9CI) structure
Product Name:Phenol,dibromodimethyl- (9CI)
CAS No:58170-31-3
MF:C8H8Br2O
MW:279.956521034241
CID:381105
PubChem ID:181170
Update Time:2025-04-19
Phenol,dibromodimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,dibromodimethyl- (9CI)
- 4,5-dibromo-2,3-dimethylphenol
- DTXSID60206900
- NS00133700
- Phenol, Dibromodimethyl-
- Dibromoxylenol
- 58170-31-3
-
- Inchi： 1S/C8H8Br2O/c1-4-5(2)8(10)6(9)3-7(4)11/h3,11H,1-2H3
- InChI Key： QBLMLJCRVDLFNM-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(C)=C1C)O)Br
Computed Properties
- Exact Mass: 277.89414
- Monoisotopic Mass: 277.894
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 140
- 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: 3.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.832
- Boiling Point: 323.2°C at 760 mmHg
- Flash Point: 149.3°C
- Refractive Index: 1.612
- PSA: 20.23
Phenol,dibromodimethyl- (9CI) Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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