4-Amino-1-naphthalenesulfonic acid

HCID 6790CAS 84-86-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc(S(=O)(=O)O)c2ccccc12
InChIKey: NRZRRZAVMCAKEP-UHFFFAOYSA-N
分子式: C10H9NO3S
平均分子量: 223.25 g/mol
単同位体質量: 223.03031415

概要

Naphthionic acid is an aminonaphthalenesulfonic acid.

名称と識別子

優先名称: 4-Amino-1-naphthalenesulfonic acid
IUPAC: 4-aminonaphthalene-1-sulfonic acid
英語名: 1-Naphthalenesulfonic acid, 4-amino-, diazotized, coupled with diazotized aniline and resorcinol
分子式: C10H9NO3S
分子量: 223.24836

名称と別名

Naphthionic acid84-86-64-Aminonaphthalene-1-sulfonic acid4-AMINO-1-NAPHTHALENESULFONIC ACIDPiria's acid1-Naphthylamine-4-sulfonic acidNaphthionsaeure1,4-Naphthionic acid1-Amino-4-sulfonaphthalene1-Naphthalenesulfonic acid, 4-amino-alpha-Naphthylamine-p-sulfonic acidalpha-Naphthylamine-4-sulfonic acid

名称をさらに表示

1-Naphthalenesulfonic acid, 4-amino-, diazotized, coupled with diazotized aniline and resorcinol

8ZIK65C5CDNSC-41554-aminonaphthalenesulfonic acidDTXSID3058909CHEBI:38219RefChem:164663DTXCID1048384201-567-9

データベース識別子

CAS: 84-86-6、90459-10-2
PubChem CID: 6790
DTXSID: DTXSID3058909
ChEMBL: CHEMBL444041
ChEBI: CHEBI:38219
UNII: 8ZIK65C5CD
EC Number: 201-567-9、291-651-1
Nikkaji: J4.902F

物性

構造計算による物性

XLogP: 1.2
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

SpringerMaterials PropertiesCrystal structure

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.