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HCID 8479생성일: 2026년 10월 23일

벤젠술폰산,4-아미노-,디아조화,5,5'-옥시비스[1,3-벤젠디올],나트륨염과결합

벤젠술폰산,4-아미노-,디아조화,5,5'-옥시비스[1,3-벤젠디올],나트륨염과결합 · Benzenesulfonic acid, 4-amino-, diazotized, coupled with 5,5'-oxybis[1,3-benzenediol], sodium salt

https://huagongshe.com/ko/chemical/8479

벤젠술폰산,4-아미노-,디아조화,5,5'-옥시비스[1,3-벤젠디올],나트륨염과결합 분자 구조식

식별자 및 물리적 특성

CAS No.121-57-3
분자식C6H7NO3S
평균 분자량173.19 g/mol
단동위원소 질량173.01466408 g/mol
SMILESNc1ccc(S(=O)(=O)O)cc1
InChIKeyHVBSAKJJOYLTQU-UHFFFAOYSA-N
PubChem CID8479
ChEMBLCHEMBL1566888
ChEBICHEBI:27500
EC No.204-482-5
DTXSIDDTXSID6024464
현지명벤젠술폰산,4-아미노-,디아조화,5,5'-옥시비스[1,3-벤젠디올],나트륨염과결합

화학 및 물리적 성질

XLogP-0.6
극성 표면적88.8
수소 결합 공여자 수2
수소 결합 수용자 수4
회전 가능 결합 수1
무거운 원자 수11
형식 전하0
복잡도210
물질 분류Nitrogen Compounds -> Aminobenzenesulfonic Acids
농약Environmental transformation -> Pesticide transformation products (metabolite, successor)
LogP(분배 계수)log Kow = -2.16-0.9
밀도1.485 at 77 °F (NTP, 1992) - Denser than waterwill sink1.485 at 25 °C/4 °C1.49 g/cm³1.485 @25 °C
Color/FormOrthorhombic plates or monoclinic from water
용해도less than 1 mg/mL at 68 °F (NTP, 1992)Insoluble in ethanol and etherSoluble in fuming hydrochloric acidSlowly sol in water: about 1% at 20 °C, about 1.45% at 30 °C, about 1.94% at 40 °CIn water, 10.68 g/L at 20 °C14.68 g/L at 30 °CSolubility in water: poor
DecompositionWhen heated to decomposition it emits toxic vapors of /nitrogen oxides and sulfur oxides/.288 °C
녹는점Decomposes without melting at 550 °F (NTP, 1992)288 °C decomposes without melting
증기압0.0000002 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description4-aminobenzene sulfonic acid appears as white powder with faint purple tinge. Grayish-white flat crystals. Becomes anhydrous at around 212 °F. Low toxicity (used medicinally).Dry PowderGreyish-white solid[Hawley] White to grey solid[ICSC] Light grey fine crystals and fragments[MSDSonline]WHITE POWDER OR WHITE-TO-GREY CRYSTALS.
Dissociation ConstantspKa = 3.25 at 25 °CpKa = 3.34 at 15 °C

안전 및 규제

GHS 분류WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]
규제 정보Chemical: Benzenesulfonic acid, 4-amino-Regulation (EC) No 1107/2009 (amended)Benzenesulfonic acid, 4-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 4-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 11-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/14240Benzenesulphonic acid, 4-amino-: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보IMAP assessments - Sulfanilic acid and its sodium salt: Human health tier II assessment
운송 라벨(DOT)Corrosive
화재 위험Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
유해성 요약An eye and mild skin irritantMay cause skin sensitizationIn monohydrate form at room temperatureBecomes anhydrous near 100 deg C[ICSC] Sensitizing in 5 of 6 guinea pig and 1 of 2 mouse skin tests[IUCLID] Emergency medical treatment: irritants[HSDB] May cause skin, eye, and mucous membrane irritation[CAMEO] An irritant[MSDSonline]
반응성 그룹Amines, Phosphines, and Pyridines
EC 분류Symbol: XiR: 36/38-43S: (2)-24-37
Reactivity Profile4-AMINOBENZENE SULFONIC ACID is an amino acid. Reacts weakly with both acids and bases.
대기 기준This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Sulfanilic acid is produced, as an intermediate or a final product, by process units covered under this subpart.
Chemical DangersDecomposes on heating at 288 °C, on burning and on contact with strong acids. This produces toxic fumes including nitrogen oxides and sulfur oxides. Reacts violently with strong bases.
Air and Water ReactionsInsoluble in water.
소화Fires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)Use water spray, powder, foam, carbon dioxide.
응급 조치Fresh air, rest.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth.
응급 처치EYES: 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.
안전 보관Separated from strong acids and strong bases.
정리 방법SLUDGE FROM A MUNICIPAL SEWAGE TREATMENT PLANT WAS ACCLIMATED AS SEED IN A CONTINUOUS FLOW, COMPLETELY MIXED LABORATORY REACTOR. A SUBSTRATE CONTAINING A MIXTURE OF GLUCOSE, PHENOL & SULFANILIC ACID WAS FED AT DIFFERENT FOOD-TO-MICROORGANISM RATIOS. REMOVAL RATE WAS DETERMINED AS TOTAL ORGANIC C (TOC) MEASUREMENTS. ANALYSES FOR EACH SUBSTRATE IN THE INFFLUENT & EFFLUENT SAMPLES WERE MADE.
비화재 누출 대응SMALL 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 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.
처리 방법SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations.
누출 처리Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered sealable containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Eye PreventionWear safety goggles or eye protection in combination with breathing protection if powder.
Fire PreventionNO open flames.
Inhalation RiskA harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
상호 작용WHEN GIVEN ORALLY IN SUFFICIENT AMT (100-500 MG/KG IN RATS), THE CHELATOR /ETHYLENE DIAMINETETRAACETATE/ INCREASES THE RATES OF ABSORPTION OF HEPARIN.../&/ SULFANILIC ACID...ALL LIPID-INSOL SUBSTANCES WHICH ORDINARILY ARE POORLY ABSORBED FROM GI TRACT.BILE SALTS, DISODIUM EDTA, TETRACYCLINE, OR SODIUM LAURYL SULFATE PRESENT IN THE GUT LUMEN OF THE RAT INCREASED THE TRANSFER OF SULFANILIC ACID FROM THE SMALL INTESTINE TO THE THORACIC DUCT LYMPH.The effect of mitomycin C (MMC) pre-administration intravenously on the absorption of drugs from rat stomach has been examined by means of the in-situ loop technique. 48 hr after the MMC-treatment, the absorption of salicylic acid, aspirin and sulphanilic acid was not influenced but that of sulphanilamide was significantly increased compared with the control. At 96 hr, a differential effect of MMC on the absorption of each drug was seen: the absorption of weakly acidic drugs was significantly decreased while that of bases and strong sulphonic acid increased. The decreased absorption of salicylic acid and aspirin correlated with the reduced gastric mucosal blood flow. At 96 hr there were severe hemorrhagic lesions in the gastric mucosa. The increase in absorption of poorly absorbed drugs could be ascribed to the increased permeability of the blood-gastric epithelium barrier as was evidenced by leakage of Evans Blue.
생태독성 수치LC50Species: Pimephales promelas (Fathead Minnow) weight 0.3-1 gConditions: freshwater, static, 22 °C, pH 7.2-7.9, hardness 40-48 mg/L CaCO3, alkalinity 30-35 mg/L CaCO3, dissolved oxygen >40%Concentration: 100400 ug/L for 96 hr
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that sulfanilic acid is expected to have very high mobility in soil(SRC). The pKa of sulfanilic acid is 3.25 at 25 °C(3), indicating that this compound will partially exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of sulfanilic acid from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 8.9X10-13 atm-cu m/mole(SRC), using a fragment constant estimation method(2). Sulfanilic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). Based on results of the majority of eight separate laboratory determinations, it can be concluded that sulfanilic acid is not readily biodegradable(5). Sulfanilic acid, present at 100 mg/L, reached 8% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(5) which also indicates the compound is not readily biodegradable(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that sulfanilic acid is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 8.9X10-13 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). According to a classification scheme(4), an estimated BCF of 3(SRC), from a log Kow of -2.16(5) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Sulfanilic acid absorbs UV light at wavelengths >290 nm(6) and may be susceptible to direct photolysis in sunlit water(SRC). Based on results of the majority of eight separate laboratory determinations, it can be concluded that sulfanilic acid is not readily biodegradable(7). Sulfanilic acid, present at 100 mg/L, reached 8% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(8) which also indicates the compound is not readily biodegradable(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), sulfanilic acid, which has an estimated vapor pressure of 1X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase sulfanilic acid may be removed from the air by wet or dry deposition(SRC). Sulfanilic acid absorbs UV light at wavelengths >290 nm(3), and therefore may be susceptible to direct photolysis by sunlight(SRC).
유해 작용Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
Signs and SymptomsRedness.Redness. Pain.
ICSC Environmental DataThe substance is harmful to aquatic organisms.
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of sulfanilic acid can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that sulfanilic acid is expected to have very high mobility in soil. The pKa of sulfanilic acid is 3.25(3), indicating that this compound will partially exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Human Toxicity Excerpts/HUMAN EXPOSURE STUDIES/ ... Specific and non-specific binding of 4-aminobenzene sulfonic acid to immunoglobulins (lgD) has been detected in patients sensitized to tartrazine from which 4-aminobenzene sulfonic acid can be metabolically liberated. Patients with symptoms of recurrent urticaria have not shown hypersensitivity reactions to 4-aminobenzene sulfonic acid./HUMAN EXPOSURE STUDIES/ PATIENTS WITH RECURRENT URTICARIA OR ANGIOEDEMA WERE PROVOKED WITH SULFANILIC ACID. NO URTICARIAL REACTION FROM SULFANILIC ACID WAS NOTED.
Artificial Pollution SourcesSulfanilic acid's production and use as an intermediate in the production of dyes, pesticides, pharmaceuticals(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: In a study assessing biodegradability by manometric respirometry conducted by the Commission of European Communities, five of the eight laboratories employed in the study determined sulfanilic acid was <20% biodegradable(1). A sixth laboratory where the inoculum was adapted to sulphonic acids found sulfanilic acid to be 70% biodegradable at 10 days and 90% biodegradable at 28 days(1). A seventh laboratory found duplicates on one occasion to give no removal while a single determination yielded 12% degradation(1). The eighth laboratory reported 6, 14 and 62% biodegradation after 28 days in three(1). Based on results of the majority of eight separate laboratory determinations, it can be concluded that sulfanilic acid is not readily biodegradable(1). Sulfanilic acid, present at 100 mg/L, reached 8% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(2) which also indicates the compound is not readily biodegradable(SRC).
Environmental BioconcentrationAn estimated BCF of 3 was calculated in fish for sulfanilic acid(SRC), using a log Kow of -2.16(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/SoilThe Henry's Law constant for sulfanilic acid is estimated as 8.9X10-13 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that sulfanilic acid is expected to be essentially nonvolatile from water surfaces(2). Sulfanilic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Sulfanilic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1X10-9 mm Hg at 25 °C(SRC), determined from a fragment constant method(1).