CAS 618-88-2 5-Nitroisophthalic Acid - Materials / Alfa Chemistry

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5-Nitroisophthalic Acid

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Catalog Number

ACM618882

Product Name

5-Nitroisophthalic Acid

Structure

CAS

618-88-2

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

EC Number

210-568-3

Exact Mass

211.011687g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

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

Safety Description

26-36-22

Signal Word

Warning

Supplemental Hazard Statements

H315-H319-H335

UNII

G7RZ7LC76U

XLogP3

0.8

MSDS