1,4,5,8-Naphthalenetetracarboxylic acid

HCID 31422
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Substructure searchFind similar structures

Basic information

CAS
128-97-2
Standard SMILES
O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12
InChIKey
OLAPPGSPBNVTRF-UHFFFAOYSA-N
Molecular formula
C14H8O8
Average molar mass
304.21 g/mol
Monoisotopic mass
304.02191722

Overview

structure given in first source

Names & identifiers

Preferred name
1,4,5,8-Naphthalenetetracarboxylic acid
IUPAC
naphthalene-1,4,5,8-tetracarboxylic acid
English name
1,4,5,8-Naphthalenetetracarboxylic acid
Molecular formula
C14H8O8
Molecular weight
304.21

Names & synonyms

128-97-21,4,5,8-NAPHTHALENETETRACARBOXYLIC ACID1,4,5,8-TetracarboxynaphthaleneUNB96NX2F8DTXSID4059592RefChem:4157901,4,5,8-naptetraCOOHDTXCID0033916Naphthalene-1,4,5,8-tetracarboxylic acidTetra acidC14H8O8NSC66207
Show more names
60.0%(NMR)Synthetic dyestuff1,4,5,8-Naphthalenet1,4,5,8-naphthalenetetraformicacid1,4,5,8-Naphthalenetetracarbonic acid1,4,5,8-Naphthalenetetracarboxylicaci1,4,5, 8-naphthyltetracarboxylic acidNaphthaline-1,4,5,8-tetracarbonic acid1,4,5,8-Naphthalenetetracaboxylic Acid
NSC-66207MFCD000040121,4,5,8-naphthalene tetracarboxylic acidCHEMBL367553EINECS 204-924-7NSC 66207UNII-UNB96NX2F8BRN 0436046

Database identifiers

CAS
128-97-2
PubChem CID
31422
DTXSID
DTXSID4059592
ChEMBL
CHEMBL367553
UNII
UNB96NX2F8
EC Number
204-924-7
Nikkaji
J60.044J

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
149 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
22

Physicochemical properties

Melting point
180 °C · 180 °C
Boiling point
405.05 °C · 405.05°C (rough estimate)
Density
1.5387 · 1.5387 (rough estimate)
refractive index
1.55 · 1.5500 (estimate)
storage temp.
2 · Storage temp. 2-8°C
Water Solubility
Soluble in water

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (21.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (21.2%)

Safety data

wgk
2
tsca
TSCA listed
rtecs
QK3690000
hs_code
29173990
Toxicity
mouse,LD50,oral,3800mg/kg (3800mg/kg),"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 90, 1982.
risk_code
36

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,4,5,8-Naphthalenetetracarboxylic acid: ACTIVE

Applications

Uses1,4,5,8-Naphthalenetetracarboxylic acid is a carboxylic acid organic compound and can be used as an intermediate for dyes, pigments, resins, etc.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [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]

Related reactions

9 records
New reaction record

Compound notes

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