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2,5-Dichloroterephthalic acid

Catalog Number
ACM13799901-2
CAS Number
13799-90-1
Product Name
2,5-Dichloroterephthalic acid
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
Dichloroterephthalicacid; 2,5-Dichlorobenzene-1,4-dicarboxylic acid
IUPAC Name
2,5-dichloroterephthalic acid
Molecular Weight
235.02
Molecular Formula
C8H4O4Cl2
InChI
InChI=1S/C8H4Cl2O4/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
LMOSYFZLPBHEOW-UHFFFAOYSA-N
Boiling Point
306 °C
Melting Point
306 °C
Purity
98%
Appearance
Off-white powder
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
237-454-6
Exact Mass
233.9486640g/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
Length
0.5-2um
MDL Number
MFCD00058982
Monoisotopic Mass
233.9486640g/mol
NSC Number
59392
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
XLogP3
2.2
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