2-アミノベンゼンスルホン酸

2-Aminobenzenesulfonic acid

HCID 6926CAS 88-21-1

基本情報

標準SMILES
Nc1ccccc1S(=O)(=O)O
InChIKey
ZMCHBSMFKQYNKA-UHFFFAOYSA-N
分子式
C6H7NO3S
平均分子量
173.19 g/mol
単同位体質量
173.01466426

名称と識別子

優先名称
2-Aminobenzenesulfonic acid
IUPAC
2-aminobenzenesulfonic acid
現地名
2-アミノベンゼンスルホン酸
英語名
Aniline-2-sulfonic acid
分子式
C6H7NO3S
分子量
173.19

名称と別名

2-Aminobenzenesulfonic acid88-21-1Orthanilic acido-Aminobenzenesulfonic acido-Sulfanilic acidAniline-o-sulfonic acid2-Sulfanilic acidAniline-o-sulphonic acid1-Aminobenzene-2-sulfonic acido-Aminophenylsulfonic acidBenzenesulfonic acid, o-amino-DTXSID1024463
名称をさらに表示
2-アミノベンゼンスルホン酸O-アミノベンゼンスルホン酸オルタニル酸2-スルホアニリンo-アニリンスルホン酸アニリンスルホン酸O‐アミノベンゼンスルホン酸アニリン-2-スルホン酸オルタニル酸, 97%o-スルホアニリンアニリン-o-スルホン酸SULPHANILIC ACID2-aminobenzenesulfonateo-SulfanilicSulfoaniline2-SULFOANILINEAniline-2-sulfOrthoanilicacid2-sulfanilicacid
ZB9JSA4BH0NSC-147CHEBI:1015DTXCID2044632-Aminobenzene sulfonic acidortho-sulfanilic acidRefChem:856931201-810-9

データベース識別子

CAS
88-21-1
PubChem CID
6926
DTXSID
DTXSID1024463
ChEMBL
CHEMBL1372690
ChEBI
CHEBI:1015
UNII
ZB9JSA4BH0
EC Number
201-810-9
Nikkaji
J4.290K

物性

構造計算による物性

XLogP
0.4
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
11

実験および物理化学的性質

Solubility10 to 50 mg/mL at 72 °F (NTP, 1992)
Melting Point617 °F (decomposes) (NTP, 1992)
Physical Description · 2 件

2-aminobenzene sulfonic acid is a light brown powder. (NTP, 1992)

Solid; [Merck Index] Light brown solid; [CAMEO]

Collision Cross Section · 3 件

153.23 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field];133.9 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

130.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

152.3 Ų [M+Na]+;131.9 Ų [M-H]-

物理化学的性質

融点
300 °C · 300 °C
沸点
363.26 ℃[at · 363.26℃[at 101 325 Pa]
比重(密度)
1.342 · 1.342 (estimate)
蒸気圧
0 Pa · 0Pa at 25℃
屈折率
1.55 · 1.5500 (estimate)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

化学的性質

化学的特性LIGHT BROWN FINE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.4% (2 of 84) of reports.

Danger

H314 (78.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H319 (20.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 84 reports by companies.;There are 6 notifications provided by 82 of 84 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Cease Manufacture Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10511;Status: Active Update: 26-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29603
DOT LabelCorrosive
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes.;ACUTE/CHRONIC HAZARDS: This compound may evolve toxic fumes on contact with acids or when heated to decomposition. It may be corrosive to tissues. (NTP, 1992)

Hazards Summary · 1 件

May cause skin and mucous membrane irritation; [NTP] Causes burns; May cause skin sensitization; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Aniline hemisulfate

Reactive GroupAcids, Weak;Amines, Aromatic

安全と保護具

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

法規制情報

Regulatory InformationStatus: Cease Manufacture Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10511;Status: Active Update: 26-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29603

安全データ

wgk
3
tsca
TSCA listed
rtecs
DB4727700
ridadr
UN 2585 8/PG 3
hs_code
29214200
risk_code
34

化学と産業

用途と製造

UsesUsed in organic synthesis and to make dyes and pharmaceuticals; [NTP] Used to make dyes and fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationBenzenesulfonic acid, 2-amino-: ACTIVE
応用分野 · 3 件

解説o-アミノベンゼンスルホン酸:オルタニル酸ともいう.o-ニトロベンゼンスルホニルクロリドを還元すると得られる.板状晶(1/2水和物).分解点約326 ℃.冷水に難溶.解離定数K 3.3×10-3(25 ℃).

用途有機合成原料(酸性アゾ染料)、アミノ酸TLC発色剤。

一般的な説明Light brown powder.

調製方法 · 1 件

純化方法Crystallise orthanilic acis from aqueous solution, containing 20mL of conc HCl per L, then crystallise it from distilled water, and dry it in a vacuum desiccator over Sicapent (m 315o). When an aqueous solution is chilled below 13.5o, the hydrated form of the acid is obtained. It is used for the determination of nitrite and nitrate. The S-benzylisothiuronium salt has m 137o (from H2O). [Wertheim Org Synth Coll Vol II 471 1943, Beilstein 14 H 681, 14 I 714, 14 II 429, 14 III 1896, 14 IV 2638.]

上流・下流製品情報

下流製品

1,1'-[4,1-フェニレンビスイミノビス(4-クロロ-1,3,5-トリアジン-2,6-ジイルイミノ)]ビス[7-[(2-スルホフェニル)アゾ]-8-ヒドロキシナフタレン-3,6-ジスルホン酸]5-[4-クロロ-6-[m-{2-(ヒドロキシスルホニルオキシ)エチルスルホニル}アニリノ]-1,3,5-トリアジン-2-イルアミノ]-4-ヒドロキシ-3-(o-スルホフエニルアゾ)-2,7-ナフタレンジスルホン酸の四ナトリウム塩5-[4-クロロ-6-(メチルフェニルアミノ)-1,3,5-トリアジン-2-イルアミノ]-4-ヒドロキシ-3-[2-(ソジオスルホ)フェニルアゾ]-2,7-ナフタレンジスルホン酸ジナトリウムダイレクトレッド80C.I.リアクティブレッド15C.I.リアクティブレッド2275-ベンゾイルアミノ-3-[5-[4-クロロ-6-(4-スルホフェニルアミノ)-1,3,5-トリアジン-2-イルアミノ]-2-スルホフェニルアゾ]-4-ヒドロキシナフタレン-2,7-ジスルホン酸テトラナトリウムDirect Blending Scarlet D-GLN1,2-ベンゼンジスルホニルジクロリドAcid yellow 161,1'-[4,1-フェニレンビスイミノビス(4-クロロ-1,3,5-トリアジン-2,6-ジイルイミノ)]ビス[7-[(2-スルホフェニル)アゾ]-8-ヒドロキシナフタレン-3,6-ジスルホン酸]1-Naphthalenesulfonic acid, 4,5-dihydroxy-3-[(4-sulfophenyl)azo]-, disodium salt

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補足説明

定義ChEBI: An aminobenzenesulfonic acid carrying an amino group at position 2.

関連反応

23 件

関連ノート

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