1,3,6-Naphthalenetrisulfonic acid, 7-amino-

HCID 8349CAS 118-03-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O
InChIKey
GFPQSWFFPRQEHH-UHFFFAOYSA-N
Molecular formula
C10H9NO9S3
Average molar mass
383.4 g/mol
Monoisotopic mass
382.94394387

Names & identifiers

Preferred name
1,3,6-Naphthalenetrisulfonic acid, 7-amino-
IUPAC
7-aminonaphthalene-1,3,6-trisulfonic acid
English name
2-Amino-3,6,8-naphthalenetrisulfonic acid
Molecular formula
C10H9NO9S3
Molecular weight
383.37

Names & synonyms

118-03-62-Amino-3,6,8-naphthalenetrisulfonic acid1,3,6-NAPHTHALENETRISULFONIC ACID, 7-AMINO-2-Naphthylamine-3,6,8-trisulfonic acid7-Amino-1,3,6-naphthalenetrisulfonic acidNSC 7561EINECS 204-229-9BRN 2681042Kyselina 2-naftylamin-3,6,8-trisulfonova [Czech]Kyselina 2-naftylamin-3,6,8-trisulfonovaDTXSID40594650-14-00-00800 (Beilstein Handbook Reference)
Show more names
K-ACIDAMINO K ACID2-R amino acidkyselinakochovaAmino K Acid(K Acid)6-naphthalenetrisulfonicacid,7-amino-37-Amino-1,3,6-naphthalenesulfonic Acid2-NAPTHYLAMINE-3,6,8 TRI SULPHONIC ACIDkyselina2-naftylamin-3,6,8-trisulfonova
RefChem:72389DTXCID40334257-aminonaphthalene-1,3,6-trisulfonic acidKyselina kochovaMFCD00035721NSC-7561Kyselina kochova [Czech]7-Aminonaphthalene-1,3,6-trisulphonic acid

Database identifiers

CAS
118-03-6
PubChem CID
8349
DTXSID
DTXSID4059465
UNII
XJ2U5L6AXF
EC Number
204-229-9
Nikkaji
J58.185B

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
214 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
3
Heavy atoms
23

Physicochemical properties

Boiling point
702.53 ℃[at · 702.53℃[at 101 325 Pa]
Density
1.7995 · 1.7995 (rough estimate)
refractive index
1.68 · 1.6800 (estimate)
storage temp.
2 · 2-8°C
pka
-1.27 · -1.27±0.40(Predicted)
Water Solubility
1000 g/L · 1000g/L at 25℃

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P321, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1,3,6-Naphthalenetrisulfonic acid, 7-amino-

Status: Active Update: 12-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20735

Hazard Classes and CategoriesSkin Corr. 1B (50%)

Safety data

tsca
TSCA listed
Toxicity
rat,LD50,oral,13gm/kg (13000mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
REACH Registrations
Active

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3,6-Naphthalenetrisulfonic acid, 7-amino-: ACTIVE

Applications

Uses2-Amino-3,6,8-naphthalenetrisulfonic acid is used in the manufacture of azo dyes and 2R acid.

Upstream & downstream products

Suppliers50 total

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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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