1-Naphthalenesulfonic acid (HCID 6812)

概要

Naphthalene-1-sulfonic acid is a naphthalenesulfonic acid.

名称と識別子

優先名称: 1-Naphthalenesulfonic acid
IUPAC: naphthalene-1-sulfonic acid
現地名: ナフタレンスルホン酸
英語名: naphthalenesulphonic acid
分子式: C10H8O3S
分子量: 208.23372

名称と別名

1-NAPHTHALENESULFONIC ACID85-47-2naphthalene-1-sulfonic acidalpha-Naphthalenesulfonic acid0SJH61WM2JDTXSID70480331-naphthalenemonosulfonateHT-907CHEBI:30895RefChem:76474DTXCID209777201-610-1

名称をさらに表示

ナフタリンスルホン酸Einecs 246-676-2naphthalenesulphonic acid

Naphthalene-1-sulphonic acidnaphthalenesulfonic acidUNII-0SJH61WM2J25155-19-5MFCD00003987.alpha.-Naphthalenesulfonic acidnaphthalene sulfonic acid1-Naphthalenesulfonic acid, >50%

データベース識別子

CAS: 25155-19-5、85-47-2
PubChem CID: 6812
DTXSID: DTXSID7048033
ChEMBL: CHEMBL1160029
ChEBI: CHEBI:30895
UNII: 0SJH61WM2J
EC Number: 201-610-1、246-676-2
Nikkaji: J124.113C

物性

構造計算による物性

XLogP: 1.9
極性表面積: 62.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 291

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Naphthalenes

Industrial compound

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionSolid; [Merck Index] Grey powder; [Acros Organics MSDS]

Ionization Efficiency · 6 件

Negative

1.6

10.5

Agilent XCT

Electrospray ionization

ammonia (10nM)

Collision Cross Section141.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3042394]

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 57.8% (155 of 268) of all reports.

Danger

H302 (39.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 268 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 4.4% (2 of 45) of reports.

危険有害性情報

Regulatory Information · 3 件

Chemical: Naphthalenesulfonic acid

Naphthalenesulfonic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

1-Naphthalenesulfonic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS] See Naphthalene.

Hazard Classes and Categories · 2 件

Acute Tox. 4 (39.9%)

Skin Corr. 1B (95.6%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

ridadr: 2585
hazard_class: 8
packing_group: III

化学と産業

用途と製造

UsesUsed to make alpha-naphthol; The sodium salt is used to make phenols soluble in water; [Merck Index]

General Manufacturing Information1-Naphthalenesulfonic acid: ACTIVE

応用分野 · 1 件

解説C10H8O3S(208.23)．C10H7SO3H．1-および2-ナフタレンスルホン酸の2種類の異性体があり，スルホン化の条件によって両者の生成比が異なる．すなわち，ナフタレンを硫酸と反応させる際，一般に低温(80 ℃)短時間では1-ナフタレンスルホン酸が，高温(160 ℃)長時間では2-ナフタレンスルホン酸が主として得られる．1-ナフタレンスルホン酸は希塩酸から再結晶した二水和物で，融点90 ℃．水やエタノールに易溶．Ka 0.18×10－3(25 ℃)．2-ナフタレンスルホン酸は希塩酸から再結晶した三水和物で，融点83 ℃．これを室温で乾燥した一水和物は，融点124 ℃．Ka 0.25×10－3(25 ℃)．多くの有機溶媒に可溶．いずれもアルカリ融解によりナフトールをつくるのに用いられる．"森北出版「化学辞典（第2版）