Cas no 5415-78-1 ( )
structure
Product Name:
CAS No:5415-78-1
MF:C7H5Br2ClO
MW:300.374999761581
CID:939931
PubChem ID:223529
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dibromo-6-chloro-3-methylphenol
- 2,4-dibromo-6-chloro-3-methyl-phenol
- NSC-11252
- DTXSID40279091
- 5415-78-1
- NSC11252
-
-
- Inchi： 1S/C7H5Br2ClO/c1-3-4(8)2-5(10)7(11)6(3)9/h2,11H,1H3
- InChI Key： JFODRSKAZPAWDP-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1C)Br)Cl)O
Computed Properties
- Exact Mass: 297.84000
- Monoisotopic Mass: 297.84
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 144
- 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: 3.9
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 2.023
- Boiling Point: 274.7°C at 760 mmHg
- Flash Point: 120°C
- Refractive Index: 1.636
- PSA: 20.23000
- LogP: 3.87900
Related Literature
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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