Cas no 93940-91-1 (4-bromo-3-methylpyrocatechol)
4-bromo-3-methylpyrocatechol structure
Product Name:4-bromo-3-methylpyrocatechol
CAS No:93940-91-1
MF:C7H7BrO2
MW:203.033281564713
CID:876716
PubChem ID:3022990
Update Time:2025-04-19
4-bromo-3-methylpyrocatechol Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-3-methylpyrocatechol
- 4-bromo-3-methylbenzene-1,2-diol
- SCHEMBL5872088
- 1,2-Benzenediol, 4-bromo-3-methyl-
- EINECS 300-489-3
- DTXSID90916989
- 93940-91-1
- NS00063985
-
- Inchi： 1S/C7H7BrO2/c1-4-5(8)2-3-6(9)7(4)10/h2-3,9-10H,1H3
- InChI Key： SSIOQROWLGWJAH-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=C1C)O)O
Computed Properties
- Exact Mass: 201.963
- Monoisotopic Mass: 201.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 118
- 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: 2.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.709
- Boiling Point: 288.4°C at 760 mmHg
- Flash Point: 128.2°C
- Refractive Index: 1.635
4-bromo-3-methylpyrocatechol Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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