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2,5-Dibromoterephthalic acid

Catalog Number
ACM13731823-2
CAS Number
13731-82-3
Product Name
2,5-Dibromoterephthalic acid
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
2,5-Dibromobenzene-1,4-dicarboxylic acid
IUPAC Name
2,5-dibromoterephthalic acid
Molecular Weight
323.92
Molecular Formula
C8H4O4Br2
InChI
InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key
VUTICWRXMKBOSF-UHFFFAOYSA-N
Melting Point
318 °C
Purity
98%
Appearance
Off-white solid
Storage
Store under inert gas
Complexity
230
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
237-300-8
Exact Mass
323.84558g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
MDL Number
MFCD00204593
Monoisotopic Mass
321.84763g/mol
NSC Number
115430
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
2
Signal Word
Warning
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
63JN659KM5
XLogP3
2.4
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