6-Amino-2-naphthalenesulfonic acid (HCID 7116)

概要

6-aminonaphthalene-2-sulfonic acid is an aminonaphthalenesulfonic acid.

名称と識別子

優先名称: 6-Amino-2-naphthalenesulfonic acid
IUPAC: 6-aminonaphthalene-2-sulfonic acid
現地名: 6-アミノ-2-ナフタレンスルホン酸一水和物
英語名: 6-Amino-2-naphthalenesulfonic acid
分子式: C10H9NO3S
分子量: 223.25

名称と別名

6-Aminonaphthalene-2-sulfonic acid93-00-56-AMINO-2-NAPHTHALENESULFONIC ACIDBronner's acid2-Amino-6-sulfonaphthalene2-Amino-6-naphthylsulfonic acidPontamine Fast Scarlet 4BA6-Naphthylamine-2-sulphonic acid2-Amino-6-naphthalenesulfonic acidDTXSID40447438K80BTS68ADTXCID2024743

名称をさらに表示

6-アミノ-2-ナフタレンスルホン酸一水和物ブロンナー酸Bronner酸6-アミノ-2-ナフタレンスルホン酸Broenner酸6-アミノナフタレン-2-スルホン酸ブレンナ酸2-ナフチルアミン-6-スルホン酸一水和物Bronner酸一水和物BROENNERS ACIDBroener AcidBronnes'acidBroenner acidBROENNER'SACIDBROENNEER'S ACID6-AMino-2-naphthalen

CHEBI:20700RefChem:5403606-ANSBroenner's acid2-Naphthylamine-6-sulfonic acidBronner acid6-Amino-2-naphthalenesulfonicacid6-Aminonaphthalene-2-sulphonic acid

データベース識別子

CAS: 52365-47-6、93-00-5
PubChem CID: 7116
DTXSID: DTXSID4044743
ChEMBL: CHEMBL3187325
ChEBI: CHEBI:20700
UNII: 8K80BTS68A
EC Number: 202-208-9、257-879-0
Nikkaji: J4.665E

物性

構造計算による物性

XLogP: -0.1
極性表面積: 88.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 322

実験および物理化学的性質

Physical DescriptionDry Powder

Collision Cross Section150.3 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4044743]

物理化学的性質

比重(密度): 1.3588 · 1.3588 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.65 · 1.6500 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: powder to crystal
酸解離定数(Pka): -0.08 · -0.08±0.40(Predicted)
色: White to Light yellow to Light orange
水溶解度: 0.12 g/L · 0.12g/L(20℃)
InChI: InChI=1S/C10H9NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H,11H2,(H,12,13,14)
InChIKey: SEMRCUIXRUXGJX-UHFFFAOYSA-N
SMILES: C1=C2C(C=C(N)C=C2)=CC=C1S(O)(=O)=O
LogP: 0.603 at · 0.603 at 25℃
CAS データベース: 93 · 93-00-5(CAS DataBase Reference)
EPAの化学物質情報: 6 · 6-Amino-2-naphthalenesulfonic acid (93-00-5)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 75.3% (134 of 178) of all reports.

Warning

H317 (24.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]

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

Aggregated GHS information provided per 178 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

2-Naphthalenesulfonic acid, 6-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 6-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: 11-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17734

Hazard Classes and CategoriesSkin Sens. 1 (24.7%)

安全データ

wgk: WGK 3
tsca: TSCA listed
hs_code: 2930909899
risk_code: 36/37/38
化審法: (4)-493
safety_code: 26-36/37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 22,983 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Synthetic Dye and Pigment Manufacturing

2-Naphthalenesulfonic acid, 6-amino-: ACTIVE

応用分野 · 2 件

用途有機合成原料。

説明2-Aminonaphthalene-6-sulfonic acid [93- 00-5]. (6-aminonaphthalene-2-sulfonic acid), Bronner acid, C10H9NO3S, Mr 223.24, crystallizes from water as the monohydrate in plates although only 0.2 % soluble at 100℃. Sulfonation with 20 % oleum at 20℃ gives a mixture of 1,6- and 6,8-disulfonic acids.

調製方法

純化方法Crystallise the acid from a large volume of hot water. The diethylamine salt has m 190.5-192o (from EtOH/isoBuOH), and the S-benzylisothiuronium salt has m 330o (from nBuOH). [Beilstein 14 H 760, 14 II 463, 14 III 2249, 14 IV 2804.]