基本情報
- CAS
82-75-7- 標準SMILES
Nc1cccc2cccc(S(=O)(=O)O)c12- InChIKey
CYJJLCDCWVZEDZ-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
structure in Merck Index, 9th ed, #6232
名称と識別子
- 優先名称
- Peri acid
- IUPAC
- 8-aminonaphthalene-1-sulfonic acid
- 現地名
- 8-アミノ-1-ナフタレンスルホン酸
- 英語名
- Peri acid
- 分子式
- C10H9NO3S
- 分子量
- 223.25
名称と別名
82-75-7peri Acid8-AMINO-1-NAPHTHALENESULFONIC ACID1-Naphthylamine-8-sulfonic acid1-Naphthalenesulfonic acid, 8-amino-1-Aminonaphthalene-8-sulfonic acidNaphthylaminemonosulfonic acid Salpha-Naphthylamine-8-sulfonic acid0D93Y3MXV4NSC-7798DTXSID2058881RefChem:76545
名称をさらに表示
8-アミノ-1-ナフタレンスルホン酸8-アミノナフタレン-1-スルホン酸ペリ酸1,8-ナフチルアミンスルホン酸1-アミノ-8-ナフタレンスルホン酸1-アミノナフタレン-8-スルホン酸1-ナフチルアミン-8-スルホン酸1‐ナフチルアミン‐8‐スルホン酸1,8-AMINO ACIDPerigastric acidSchollkopf's acid (VAN)8-SULFO-1-NAPHTHYLAMINE1.8 Clevs Acid(Peri Acid)1-AMINO-8-SULFONAPHTHALENE8-Naphthol-1-sulfonic acidPeri acid ISO 9001：2015 REACH
DTXCID6048258201-437-18-aminonaphthalene-1-sulfonic acid1-Amino-8-naphthalene sulfonateNSC 7798MFCD00035730.alpha.-Naphthylamine-8-sulfonic acid1-AMINO-8-NAPHTHYLSULFONIC ACID
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 88.8 Ų
- 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
物理化学的性質
- 融点
- 350 °C · >350°C
- 沸点
- 220 °C · 220°C (rough estimate)
- 比重(密度)
- 1.3588 · 1.3588 (rough estimate)
- 屈折率
- 1.65 · 1.6500 (estimate)
- 酸解離定数(Pka)
- 1 · pK1: 5.03 (25°C)
- 外見
- powder to crystal
- 色
- Light yellow to Brown
- 水溶解度
- 0.2 g/L · 0.2g/L(21℃)
- Merck
- 14 · 14,6405
- BRN
- 983230 · 983230
- InChI
- InChI=1S/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
- InChIKey
- CYJJLCDCWVZEDZ-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=C2C(C=CC=C2N)=CC=C1
- CAS データベース
- 82 · 82-75-7(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Naphthalenesulfonic acid, 8-amino- (82-75-7)
化学的性質
化学的特性Dark green powder. 1-Aminonaphthalene-8-sulfonic acid [82- 75-7]. (8-aminonaphthalene-1-sulfonic acid), Peri acid, C10H9NO3S, Mr 223.24, crystallizes as the monohydrate and is sparingly soluble even in boiling water. The sodium salt is also sparingly soluble in water. Caustic fusion at 200℃ produces 8-amino-1- naphthol, whereas slow hydrolysis with 10 % sodium hydroxide at 220 – 260℃ yields 1,8- dihydroxynaphthalene. Sulfonation with cold 10 % oleum produces 1-aminonaphthalene-4,8- disulfonic acid, whereas hot concentrated sulfuric acid results in slow isomerization into naphthionic acid.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 17.2% (10 of 58) of reports.
Danger
H314 (69%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationStatus: Active Update: 21-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18571
Hazard Classes and CategoriesSkin Corr. 1B (69%)
安全データ
- tsca
- TSCA listed
- hs_code
- 29214500
- risk_code
- 34
- 化審法
- (4)-491
- hazard_code
- C
- safety_code
- 26-27-36-45
化学と産業
用途と製造
General Manufacturing Information1-Naphthalenesulfonic acid, 8-amino-: ACTIVE
応用分野
用途黒色アゾ染料、緑色硫化染料の中間体。
使用Intermediate of dyestuff. Dehydration with phosphorus oxychloride yields naphthosultam, and diazotization followed by hydrolysis results in naphthosultone, the intermediate for 1- hydroxynaphthalene-8-sulfonic acid. Diazotization followed by a Sandmeyer cyanide reaction gives 8-cyanonaphthalene-1-sulfonic acid, one of the most industrially important Sandmeyer reaction products because the nitrile forms the lactam, naphthostyril [130-00-7], upon treatment with concentrated alkali at 185℃. Hydrolysis of naphthostyril with dilute alkali yields 8-aminonaphthalene-1-carboxylic acid, which is the key intermediate for production of anthanthrone vat dyes via 1,10 -binaphthyl8,80 -dicarboxylic acid.
上流・下流製品情報
上流原料
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