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5-Nitroisophthalic Acid

Catalog Number
ACM618882
CAS Number
618-88-2
Product Name
5-Nitroisophthalic Acid
Structure
Category
Metal Organic Frameworks (MOFs)
Synonyms
5-nitro-3-benzenedicarboxylicacid;3-NITRO-5-CARBOXYLIC ACID BENZOIC ACID;5-NITROBENZENE-1,3-DICARBOXYLIC ACID;5-nitro-1,3-benzenedicarboxylic acid;5-NITROISOPHTHALIC ACID;NITROISOPHTHALIC-5 ACID;NITRO ISOPHTHALIC ACID;5-NIPA
IUPAC Name
5-nitrobenzene-1,3-dicarboxylic acid
Molecular Weight
211.13
Molecular Formula
C8H5NO6
Canonical SMILES
C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChI Key
NBDAHKQJXVLAID-UHFFFAOYSA-N
Melting Point
261 °C
Flash Point
120°C
Purity
>99.0%(HPLC)
Appearance
White to Light yellow powder to crystal
Storage
Store under inert gas
Complexity
274
Covalently-Bonded Unit Count
1
EC Number
210-568-3
Exact Mass
211.011687g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
15
MDL Number
MFCD00007254
MeSH Entry Terms
5-nitroisophthalic acid
Monoisotopic Mass
211.011687g/mol
NSC Number
66545
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
Safety Description
26-36-22
Signal Word
Warning
Supplemental Hazard Statements
H315-H319-H335
UNII
G7RZ7LC76U
XLogP3
0.8
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