化工社化工社化学情報印刷レポート · 研究参考用

HCID 8563作成日：2026年11月1日

2-アミノナフタレン-4,8-ジスルホン酸

3-アミノ-1,5-ナフタレンジスルホン酸 · 2-ナフチルアミン-4,8-ジスルホン酸 · C酸 · 酸IV · 3-アミノナフタレン-1,5-ジスルホン酸 · 2-アミノナフタレン-4,8-ジスルホン酸 · C ACID · AMINO C ACID

https://huagongshe.com/ja/chemical/8563

識別子と物理属性

CAS No.	131-27-1
分子式	C10H9NO6S2
平均分子量	303.3 g/mol
単同位体質量	302.98712901 g/mol
SMILES	Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1
InChIKey	MTJGVAJYTOXFJH-UHFFFAOYSA-N
PubChem CID	8563
EC No.	205-020-5
DTXSID	DTXSID5059616
現地名	2-アミノナフタレン-4,8-ジスルホン酸

化学・物理的性質

XLogP	0
極性表面積	152
水素結合供与体数	3
水素結合受容体数	7
回転可能結合数	2
重原子数	19
形式電荷	0
複雑度	531
Physical Description	Dry Powder
沸点	205.8°C (rough estimate)
密度	1.6329 (rough estimate)
屈折率	1.7330 (estimate)
貯蔵条件	2-8°C
pKa（酸解離定数）	-1.16±0.40(Predicted)
InChI	InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey	MTJGVAJYTOXFJH-UHFFFAOYSA-N
SMILES	C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2)=CC(N)=C1
CAS データベース	131-27-1(CAS DataBase Reference)
EPAの化学物質情報	1,5-Naphthalenedisulfonic acid, 3-amino- (131-27-1)

化学的特性

2-Aminonaphthalene-4,8-disulfonic acid [131-27-1]. (3-aminonaphthalene-1,5-disulfonic acid), Cassella acid, C acid, C10H9NO6S2, Mr 303.32, and its salts are readily soluble in water. Reduction with sodium amalgam desulfonates 2-Aminonaphthalene-4,8-disulfonic acid to give 2-aminonaphthalene-8-sulfonic acid, whereas boiling with dilute sulfuric acid results in desulfonation and hydrolysis to give 2- hydroxynaphthalene-4-sulfonic acid. Alkali fusion (KOH, 215℃) produces 2-amino-4-hydroxynaphthalene-8-sulfonic acid.

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.WarningH319 (81.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory.
規制情報	Chemical: 1,5-Naphthalenedisulfonic acid, 3-amino-1,5-Naphthalenedisulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17115
Hazard Classes and Categories	Eye Irrit. 2 (81.8%)
TSCA 収載状態	TSCA listed
毒性	rat,LD50,oral,11400mg/kg (11400mg/kg),"Prehled Prumyslove ToxikologieOrganicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.
危険文句（R）	36/37/38
安全措置（S）	26-36/37/39

CAS No.

131-27-1

分子式

C10H9NO6S2

平均分子量

303.3 g/mol

単同位体質量

302.98712901 g/mol

SMILES

Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1

InChIKey

MTJGVAJYTOXFJH-UHFFFAOYSA-N

PubChem CID

8563

EC No.

205-020-5

DTXSID

DTXSID5059616

現地名

2-アミノナフタレン-4,8-ジスルホン酸

化学・物理的性質

XLogP

極性表面積

152

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

531

Physical Description

Dry Powder

沸点

205.8°C (rough estimate)

密度

1.6329 (rough estimate)

屈折率

1.7330 (estimate)

貯蔵条件

2-8°C

pKa（酸解離定数）

-1.16±0.40(Predicted)

InChI

InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)

InChIKey

MTJGVAJYTOXFJH-UHFFFAOYSA-N

SMILES

C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2)=CC(N)=C1

CAS データベース

131-27-1(CAS DataBase Reference)

EPAの化学物質情報

1,5-Naphthalenedisulfonic acid, 3-amino- (131-27-1)

化学的特性

安全性と法規制

GHS 分類

This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.WarningH319 (81.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory.

規制情報

Chemical: 1,5-Naphthalenedisulfonic acid, 3-amino-1,5-Naphthalenedisulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17115

Hazard Classes and Categories

Eye Irrit. 2 (81.8%)

TSCA 収載状態

TSCA listed

毒性

rat,LD50,oral,11400mg/kg (11400mg/kg),"Prehled Prumyslove ToxikologieOrganicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.

危険文句（R）

36/37/38

安全措置（S）

26-36/37/39