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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 6926作成日：2026年10月27日

2-アミノベンゼンスルホン酸

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

https://huagongshe.com/ja/chemical/6926

2-アミノベンゼンスルホン酸 の分子構造式

識別子と物理属性

CAS No.88-21-1
分子式C6H7NO3S
平均分子量173.19 g/mol
単同位体質量173.01466426 g/mol
SMILESNc1ccccc1S(=O)(=O)O
InChIKeyZMCHBSMFKQYNKA-UHFFFAOYSA-N
PubChem CID6926
ChEMBLCHEMBL1372690
ChEBICHEBI:1015
EC No.201-810-9
DTXSIDDTXSID1024463
現地名2-アミノベンゼンスルホン酸

化学・物理的性質

XLogP0.4
極性表面積88.8
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
形式電荷0
複雑度218
溶解度10 to 50 mg/mL at 72 °F (NTP, 1992)3.565g/L in organic solvents at 20 ℃難溶性
融点617 °F (decomposes) (NTP, 1992)300 °C
Physical Description2-aminobenzene sulfonic acid is a light brown powder. (NTP, 1992)Solid[Merck Index] Light brown solid[CAMEO]
Collision Cross Section153.23 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]133.9 Ų [M-H]- [CCS Type: DT130.5 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]152.3 Ų [M+Na]+131.9 Ų [M-H]-
沸点363.26℃[at 101 325 Pa]
密度1.342 (estimate)
蒸気圧0Pa at 25℃
屈折率1.5500 (estimate)
貯蔵条件Keep in dark place,Inert atmosphere,Room temperature
外観・状態結晶性粉末
pKa（酸解離定数）2.48(at 25℃)
色白からベージュ
Merck14,6882
BRN1309204
InChI1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKeyZMCHBSMFKQYNKA-UHFFFAOYSA-N
SMILESNc1ccccc1S(O)(=O)=O
LogP（分配係数）0 at 23℃
CAS データベース88-21-1(CAS DataBase Reference)
NISTの化学物質情報Aniline-o-sulfonic acid(88-21-1)
EPAの化学物質情報o-Aminobenzenesulfonic acid (88-21-1)

化学的特性

LIGHT BROWN FINE CRYSTALLINE POWDER

安全性と法規制

GHS 分類This chemical does not meet GHS hazard criteria for 2.4% (2 of 84) of reports.DangerH314 (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.
規制情報Status: Cease Manufacture Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10511Status: Active Update: 26-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29603
輸送ラベル（DOT）Corrosive
火災危険Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
健康有害性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)
有害性の概要May cause skin and mucous membrane irritation[NTP] Causes burnsMay cause skin sensitization[ECHA REACH Registrations] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] See Aniline hemisulfate
反応性グループ

用途

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.

製法・合成法

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.]

Acids, WeakAmines, Aromatic
Reactivity Profile2-AMINOBENZENE SULFONIC ACID is an amino acid. Reacts weakly with both acids and bases.
Air and Water ReactionsSoluble in water.
Hazard Classes and CategoriesSkin Corr. 1B (78.6%)Eye Irrit. 2 (20.2%)
消火Fires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
応急処置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 areatake 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 usedif 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)
非火災時の漏出対応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 EvacuationExcerpt 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 directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)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)
有害作用Dermatotoxin - Skin burns.Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
水環境危害等級（WGK）3
TSCA 収載状態TSCA listed
RTECS 番号DB4727700
輸送番号（UN）UN 2585 8/PG 3
税関コード29214200
危険文句（R）34
化審法(3)-1971
危険表示C
安全措置（S）26-36/37/39-45-28A
危険等級8Skin Corr. 1B
包装等級III
貯蔵分類8A - Combustible corrosive hazardous materials