2,3-Naphthalenedicarboxylic acid

HCID 95073CAS 2169-87-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cc2ccccc2cc1C(=O)O
InChIKey
KHARCSTZAGNHOT-UHFFFAOYSA-N
Molecular formula
C12H8O4
Average molar mass
216.19 g/mol
Monoisotopic mass
216.04225874

Overview

structure given in first source

Names & identifiers

Preferred name
2,3-Naphthalenedicarboxylic acid
IUPAC
naphthalene-2,3-dicarboxylic acid
English name
2,3-Naphthalenedicarboxylic acid
Molecular formula
C12H8O4
Molecular weight
216.19

Names & synonyms

2,3-Naphthalenedicarboxylic acid2169-87-12,3-naphthalic acidCE3YD57YJXNSC-16063DTXSID9062229RefChem:442613DTXCID7036535218-517-7naphthalene-2,3-dicarboxylic acid2,3-NaphthalenedicarboxylicacidMFCD00004104
Show more names
NAPHTHALICACID2,3-NAPHTHALICACIDRARECHEM AL BO 0619,3-Naphthalenedicarboxylic acidnaphthalene-2,3-dicarboxylicaci2,3-NaphthalenedicarboxylicAcid>2,3-Naphthalenedicarboxylic acid,95%
2,3-NDA; 2,3-Naphthalic Acid; NSC 16063; Naphthalene-2,3-carboxylic AcidUNII-CE3YD57YJXNaphthalin-2,3-dicarbonsureSCHEMBL69178ghl.PD_Mitscher_leg0.770orb3215636SCHEMBL5142862SCHEMBL9776324

Database identifiers

CAS
2169-87-1
PubChem CID
95073
DTXSID
DTXSID9062229
UNII
CE3YD57YJX
EC Number
218-517-7
Nikkaji
J40.509D

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
238 · 238-240 °C (dec.) (lit.)
Boiling point
316.6 °C · 316.6°C (rough estimate)
Density
1.3023 · 1.3023 (rough estimate)
refractive index
1.708 · 1.7080 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29173995
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,3-Naphthalenedicarboxylic acid: INACTIVE
Applications · 2 items

Description2,3-Naphthalenedicarboxylic acid, also known as 2,3-naphthalic acid, belongs to the class of organic compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety that bears a carboxylic acid group in one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings. 2,3-Naphthalenedicarboxylic acid is an important chemical intermediate with important applications in fine chemicals. It can be used as a raw material or intermediate for synthesizing liquid crystal display materials, medicines, pesticides, spices, and inks.

Uses2,3-Naphthalenedicarboxylic Acid (cas# 2169-87-1) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

4 records
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Linked notes

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