1,4-Naphthalenedicarboxylic Acid
Catalog Number
ACM605709
CAS
605-70-9
IUPAC Name
naphthalene-1,4-dicarboxylic acid
Synonyms
NAPHTHALENE-1,4-DICARBOXYLIC ACID;1,4-NAPHTHALENEDICARBOXYLIC ACID;1,4-NAPHTHALIC ACID;1,4-NAPHTHALENEDICARBOXYLIC ACID 95+%;Naphthalene-1,4-dicarboxylicacid,98+%;Naphthalin-1,4-dicarbonsure;1,4-naphthalate;4-Naphthalenedicarboxylic acid
Molecular Weight
216.19
Molecular Formula
C12H8O4
Product Information
Canonical SMILES
C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(=O)O
Inchi
InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)
InChIKey
ABMFBCRYHDZLRD-UHFFFAOYSA-N
Boiling Point
490.2±28.0 °C(Predicted)
Melting Point
320 °C
Purity
>95.0%(T)
Density
1.54 g/cm3
Appearance
Light yellow to Yellow to Orange powder to crystal
storage
Store under inert gas
Complexity
269
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
MDL Number
MFCD00014312
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.
Reaxys Registry Number
2051255
Rotatable Bond Count
2
Signal Word
Warning
Monoisotopic Mass
216.04225873g/mol
Topological Polar Surface Area
74.6Ų
Exact Mass
216.04225873g/mol
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