1-アミノ-2-ナフトール-4-スルホン酸

1-Amino-2-naphthol-4-sulfonic acid

HCID 8316CAS 116-63-2

基本情報

標準SMILES
Nc1c(O)cc(S(=O)(=O)O)c2ccccc12
InChIKey
RXCMFQDTWCCLBL-UHFFFAOYSA-N
分子式
C10H9NO4S
平均分子量
239.25 g/mol
単同位体質量
239.02522877

概要

4-amino-3-hydroxynaphthalene-1-sulfonic acid is a naphthalenesulfonic acid and an aminonaphthalene. It has a role as a mutagen. It is functionally related to a 2-naphthol.

名称と識別子

優先名称
1-Amino-2-naphthol-4-sulfonic acid
IUPAC
4-amino-3-hydroxynaphthalene-1-sulfonic acid
現地名
1-アミノ-2-ナフトール-4-スルホン酸
英語名
1-Amino-2-naphthol-4-sulfonic acid
分子式
C10H9NO4S
分子量
239.25

名称と別名

116-63-21-Amino-2-naphthol-4-sulfonic acid4-Amino-3-hydroxy-1-naphthalenesulfonic acid1-Amino-4-sulfo-2-naphthol1,2,4-Acid1-NAPHTHALENESULFONIC ACID, 4-AMINO-3-HYDROXY-ANSK compoundW46SK3P33GNSC-25061DTXSID7059434RefChem:429209DTXCID1033373
名称をさらに表示
1-アミノ-2-ナフトール-4-スルホン酸3-ヒドロキシナフチオン酸1,2,4-アミノナフトールスルホン酸4-アミノ-3-ヒドロキシナフタレン-1-スルホン酸1-アミノ-2-ヒドロキシ-4-ナフタレンスルホン酸3-ヒドロキシ-4-アミノナフタレン-1-スルホン酸1-アミノ-2-ヒドロキシナフタレン-4-スルホン酸4-アミノ-3-ヒドロキシ-1-ナフタレンスルホン酸1,2,4酸1,2,4-酸1‐アミノ‐2‐ナフトール‐4‐スルホン酸2-ヒドロキシ-1-アミノナフタレン-4-スルホン酸1-AMINO-2-NAPHTHOL-4-SULPHONIC ACID1-AMINO-2-HYDROXY-4-NAPHTHALENESULFONIC ACIDTIMTEC-BB SBB0088701-Amino-2-naphthol-4LABOTEST-BB LT004543793-Hydroxynaphthionic acid1-Amino-2-naphthol-4-sulfonic
204-147-34-Amino-3-hydroxynaphthalene-1-sulfonic acid4-Amino-3-hydroxynaphthalenesulfonic acid2-Hydroxy-4-sulfo-1-naphthylamineMFCD000040194-Amino-3-hydroxynaphthalene-1-sulphonic acid4-amino-3-hydroxy-naphthalene-1-sulfonic acid4-Amino-3-Hydroxy-1-Naphdialene Sulfonic Acid

データベース識別子

CAS
116-63-2
PubChem CID
8316
DTXSID
DTXSID7059434
ChEMBL
CHEMBL2312198
ChEBI
CHEBI:19024
UNII
W46SK3P33G
EC Number
204-147-3
Nikkaji
J4.639F

物性

構造計算による物性

XLogP
0.9
極性表面積
109 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
1
重原子数
16

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Naphthylamines
Physical DescriptionWhite or grey solid; May turn pink on light exposure (especially if moist); [Merck Index] White or pink powder; [Alfa Aesar MSDS]

物理化学的性質

融点
290 °C · 290 °C (dec.)(lit.)
比重(密度)
1.4338 · 1.4338 (rough estimate)
屈折率
1.65 · 1.6500 (estimate)
貯蔵温度
30 °C · Store below +30°C.
溶解性
DMSO(微量)、メタノール(微量)
外見
粉
化学的性質 · 1 件

化学的特性1-Amino-2-hydroxynaphthalene-4-sulfonic acid [116-63-2]. (4-amino-3-hydroxynaphthalene-1-sulfonic acid), B€oniger acid, C10H9NO4S, Mr 239.2, is obtained as white or gray needles of the hemihydrate, which is only sparingly soluble in hot water. The alkali-metal salts are soluble in water, but the solutions slowly oxidize in air. Oxidation with nitric acid gives 1,2- naphthoquinone-4-sulfonic acid.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 15.4% (2 of 13) of reports.

Warning

H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1-Naphthalenesulfonic acid, 4-amino-3-hydroxy-

1-Naphthalenesulphonic acid, 4-amino-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 4-Aminophenol hydrochloride.
Hazard Classes and CategoriesSkin Irrit. 2 (76.9%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
QK1292000
ridadr
3265
hs_code
29222100
risk_code
36/37/38

化学と産業

用途と製造

UsesUsed to make azo dyes and 1,2-naphthoquinone-4-sulfonic acid; [Merck Index]
General Manufacturing Information1-Naphthalenesulfonic acid, 4-amino-3-hydroxy-: ACTIVE

応用分野

用途還元剤(りん酸及びけい酸イオンの定量)。

使用1-Amino-2-naphthol-4-sulfonic acid can be used in determination of phosphate.

調製方法 · 1 件

純化方法Purify it by warming 15g of the acid, 150g of NaHSO3 and 5g of Na2SO3(anhydrous) with 1L of water to ca 90o, shaking until most of the solid had dissolved, then filtering hot. The precipitate obtained by adding 10mL of conc HCl to the cooled filtrate is collected, washed with 95% EtOH until the washings are colourless, and is dried under vacuum over CaCl2. It is stored in a dark-coloured bottle, in the cold [Chanley et al. J Am Chem Soc 74 4347 1952]. [Beilstein 14 IV 2825.]

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関連反応

2 件

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