| Identification | More | [Name]
5-BROMOISOPHTHALIC ACID | [CAS]
23351-91-9 | [Synonyms]
5-BROMO-1,3-BENZENEDICARBOXYLIC ACID
5-BROMOISOPHTHALIC ACID
5-BROMOISOPHTHALIC ACID 96% | [EINECS(EC#)]
245-602-6 | [Molecular Formula]
C8H5BrO4 | [MDL Number]
MFCD00152019 | [Molecular Weight]
245.03 | [MOL File]
23351-91-9.mol |
| Chemical Properties | Back Directory | [Appearance]
white to almost white powder | [Melting point ]
276-287 °C
| [Boiling point ]
452.1±40.0 °C(Predicted) | [density ]
1.875 | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.14±0.10(Predicted) | [color ]
White to Almost white | [Water Solubility ]
Insoluble in water. | [InChI]
InChI=1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13) | [InChIKey]
JATKASGNRMGFSW-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)=CC(Br)=CC(C(O)=O)=C1 | [CAS DataBase Reference]
23351-91-9(CAS DataBase Reference) | [EPA Substance Registry System]
5-Bromoisophthalic acid (23351-91-9) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
2811 | [WGK Germany ]
3 | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
Ⅲ | [HS Code ]
29173990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to almost white powder | [Uses]
Functionalizable MOF linker with an electron rich hetero atom. Reactant for: Preparation of manganese(II) bromoisophthalate bis(pyridyl)ethane coordination polymer Preparation of nickel(II) and cobalt(II) bromoisophthalate coordination polymers Preparati | [General Description]
We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product has been enhanced for energy efficiency. Find details here. | [Synthesis]
Isophthalic acid (10 g, 60 mmol) and concentrated sulfuric acid (60 mL, 98%) were added to a 100 mL round-bottomed flask and stirred until completely dissolved. N-bromosuccinimide (12.8 g, 72 mmol) was added in batches in an oil bath at 60 °C, and the addition time was kept within 10 min. The reaction mixture was stirred at 60 °C overnight. Upon completion of the reaction, it was cooled to room temperature and the reaction was quenched by addition of water/ice mixture. The precipitate was collected by filtration and washed with hexane (2 x 60 mL). The solid was dried in an oven under reduced pressure. The crude product was purified by recrystallization from ethyl acetate to give 5-bromoisophthalic acid (3 g, 20% yield) as a white solid. | [References]
[1] Tetrahedron, 2001, vol. 57, # 24, p. 5027 - 5038
[2] Tetrahedron Letters, 2000, vol. 41, # 7, p. 1015 - 1018
[3] Journal of Organic Chemistry, 2007, vol. 72, # 15, p. 5867 - 5869
[4] Patent: US6689922, 2004, B1. Location in patent: Page column 40-41
[5] Patent: US2015/152123, 2015, A1. Location in patent: Paragraph 0156; 0157; 0158 |
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