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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 5284435作成日：2026年10月30日

2-アニリノ-5-(2,4-ジニトロアニリノ)ベンゼンスルホン酸ナトリウム

5-[(2,4-ジニトロフェニル)アミノ]-2-(フェニルアミノ)ベンゼンスルホン酸ナトリウム · C.I.アシッドオレンジ3 · 2-アニリノ-5-(2,4-ジニトロアニリノ)ベンゼンスルホン酸ナトリウム · ファーストライトイエローE · アシッド オレンジ３ · CIアッシドオレンジ3 · 酸性橙3 · CIアシッドオレンジ3

https://huagongshe.com/ja/chemical/5284435

2-アニリノ-5-(2,4-ジニトロアニリノ)ベンゼンスルホン酸ナトリウム の分子構造式

識別子と物理属性

CAS No.6373-74-6
分子式C18H13N4NaO7S
平均分子量452.4 g/mol
単同位体質量452.04026422 g/mol
SMILESO=[N+]([O-])c1ccc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c([N+](=O)[O-])c1.[Na+]
InChIKeyKKBFCPLWFWQNFB-UHFFFAOYSA-M
PubChem CID5284435
ChEMBLCHEMBL3181851
ChEBICHEBI:82425
EC No.228-921-5
DTXSIDDTXSID1021081
現地名2-アニリノ-5-(2,4-ジニトロアニリノ)ベンゼンスルホン酸ナトリウム

化学・物理的性質

極性表面積181
水素結合供与体数2
水素結合受容体数9
回転可能結合数4
重原子数31
形式電荷0
複雑度698
物質分類Dyes -> Other Dyes
化粧品Cosmetic ingredients (Acid Orange 3) -> CIR (Cosmetic Ingredient Review)Hair dyeing
Color/FormDark orange-brown microcrystals
溶解度1 to 10 mg/mL at 77 °F (NTP, 1992)Very soluble in water and ethanolDMSO（微量、加熱、超音波処理）、メタノール（微量）、水（微量）2.86g/L at 20℃
融点399 to 403 °F (NTP, 1992)>190oC
Physical DescriptionC.i. acid orange 3 is a brown to dark brown microcrystalline powder. (NTP, 1992)Dark orange-brown solid[HSDB]
密度1.6[at 20℃]
蒸気圧0Pa at 25℃
貯蔵条件Room Temperature, under inert atmosphere
外観・状態個体
色非常に濃い赤から非常に濃い茶色
化粧品成分の機能ヘアカラーリング
LogP（分配係数）-0.4 at 20℃
EPAの化学物質情報C.I. Acid Orange 3 (6373-74-6)

安全性と法規制

GHS 分類This chemical does not meet GHS hazard criteria for 22.1% (49 of 222) of reports.DangerH315 (13.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 222 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報Chemical: Benzenesulfonic acid, 5-[(2,4-dinitrophenyl)amino]-2-(phenylamino)-, monosodium saltREACH registered substance: Sodium 2-anilino-5-(2,4-dinitroanilino)benzenesulphonate (EC: 228-921-5)Benzenesulfonic acid, 5-(2,4-dinitrophenyl)amino-2-(phenylamino)-, monosodium salt: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報IMAP assessments - Chemicals with limited data availability that may be used in hair dyes in Australia: Human health tier II assessment
火災危険Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
健康有害性ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits highly toxic fumes of SOx, NOx and Na2O. (NTP, 1992)
有害性の概要An irritantMay cause serious eye injuryPossible sensitizer[MSDSonline]
反応性グループAmines, Phosphines, and Pyridines
Special ReportsToxicology & Carcinogenesis Studies of C.I. acid Orange 3 in F344/N Rats and B6C3F1 Mice. Technical Report Series No. 335 (1989) NIH Publication No. 89-2591 U.S. Department of Health and Human Services, National Toxicology Program, National Institute of Environmental Health Sciences, Research Triangle Park, NC 27709
Reactivity ProfileOrganonitrates range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures.

用途

一般的な説明

Brown to dark brown microcrystalline powder.

製法・合成法

製造方法

5-Amino-2-(phenylamino)benzenesulfonic acid and 1-Chloro-2,4-dinitrobenzenecondensation.

Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (13.1%)Skin sensitisation - category 1
消火Fires involving this material can be controlled with 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.
非火災時の漏出対応SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing 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.
処分方法SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
環境中動態TERRESTRIAL FATE: Due to the ionic nature of CI Acid Orange 3, the retention of the dye by ion-exchange processes(1,SRC), particularly on clay surfaces, and adsorption at mineral surfaces such as geothite(2,SRC), may slow down or prevent leaching in soil(SRC). As CI Acid Orange 3 is an ionic compound, volatilization of this compound will not be important from soil surfaces(1,SRC). Anaerobic conditions in soil may result in degradation as indicated by a number of sludge studies. An anaerobic sludge innoculum isolated from sewage produced a 62 percent decolorization within 42 days when 100 mg/l of CI Acid Orange 3 was inoculated with 200 mg/l of sludge(3). No decolorization was observed and no dissolved organic carbon removal was observed under aerobic conditions when 100 mg/l of CI Acid Orange 3 was inoculated with 50 g/l of activated wastewater sludge for 30 days(4). No decolorization was observed under aerobic conditions when an unspecified amount of CI Acid Orange 3 was inoculated with Phanerochaete chrysoporium fungus(5).AQUATIC FATE: CI Acid Orange 3 may be adsorbed by some sediments and particulate matter in water due to ion-exchange processes(1,SRC), particularly on clay surfaces and on mineral surfaces such as geothite(2,SRC). As CI Acid Orange 3 is an ionic compound, volatilization from water surfaces is not expected(1,SRC). According to a classification scheme(3), an estimated BCF value of 0.2(4,SRC), from an estimated log Kow(5,SRC) of -0.69, suggests that bioconcentration in aquatic organisms is low(SRC). No decolorization was observed and no dissolved organic carbon removal was observed under aerobic conditions when 100 mg/l of CI Acid Orange 3 was incubated with an inoculum of 50 g/l of activated wastewater sludge for 30 days(6).ATMOSPHERIC FATE: The ionic state of CI Acid Orange 3 makes this compound non-volatile(1,SRC), therefore this compound should exist in the particulate phase in the ambient atmosphere. Particulate-phase CI Acid Orange 3 may be physically removed from the air by wet and dry deposition(SRC).
毒性の概要On the basis of the animal and clinical data included in this report, the CIR Expert Panel concludes that Acid Orange 3 is safe for use in hair dye formulations at concentrations < 0.2%.Safe for use in cosmetics, with qualifications
Ongoing Test StatusThe following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=6373-74-6]
Soil Adsorption/MobilityDue to the ionic nature of the dye, the retention of CI Acid Orange 3 by ion-exchange processes(1,SRC), particularly on clay surfaces and adsorption at mineral surfaces such as geothite(2,SRC), may slow or prevent leaching of this compound in soil(SRC).
Artificial Pollution SourcesCI Acid Orange 3's production and use as a dye for wool and hair coloring products may result in its release to the environment through various waste streams(1,SRC).
Environmental BiodegradationAn anaerobic sludge innoculum isolated from sewage produced a 62 percent decolorization within 42 days when 100 mg/l of CI Acid Orange 3 was inoculated with 200 mg/l of sludge(1). No decolorization was observed and no dissolved organic carbon removal occurred under aerobic conditions when 100 mg/l of CI Acid Orange 3 was incubated with an inoculum of 50 g/l of activated wastewater sludge for 30 days(2). No decolorization was observed under aerobic conditions when an unspecified amount of CI Acid Orange 3 was inoculated with Phanerochaete chrysoporium fungus(3).
Carcinogen ClassificationC.I. Acid Orange 3TR-335: Toxicology and Carcinogenesis Studies of C.I. Acid Orange 3 (CASRN 6373-74-6) in F344/N Rats and B6C3F1 Mice (Gavage Studies) (1988 )07/14/87No EvidenceClear Evidence
Environmental BioconcentrationAn estimated BCF value of 0.2 was calculated for CI Acid Orange 3(SRC), using an estimated log Kow of -0.69(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/SoilSince CI Acid Orange 3 is an ionic compound, volatilization from water and moist soil surfaces will not be important(1,SRC).
Non-Human Toxicity ExcerptsGroups of 50 male and 50 female B6C3F1 mice, eight to nine weeks of age, were given 0, 125 or 250 (males) or 0, 250 or 500 (females) mg/kg bw CI Acid Orange 3 (90% pure, < 1% impurities other than water and acetone) by gavage in corn oil on five days per week for 103 weeks and were sacrificed at 112-113 weeks of age. Mean body weights of high-dose mice were 5-11% lower than those of vehicle controls after week 74. Survival at the end of the study was: males--control, 38/50low-dose, 25/50and high-dose, 26/50females--control, 23/50low-dose, 23/50and high-dose, 24/50. Treatment-related nephrotoxicity occurred in animals of each sex. Survival of males was reduced after week 100this was attributed to the nephrotoxicity. There was no significant increase in the incidence of any tumor. Epithelial hyperplasia of the urinary bladder was observed in one low-dose and three high-dose females. One low-dose female had a squamous-cell carcinoma of the urinary bladder.Groups of 50 male and 50 female Fischer 344/N rats, six to seven weeks of age, were given 0, 375 or 750 mg/kg bw CI Acid Orange 3 (90% pure, < 1% impurities other than water and acetone) by gavage in corn oil on five days per week for 103 weeks and were sacrificed at 110-112 weeks of age. Survival of high dose male rats (after week 33) and high dose female rats (after week 14) was significantly lower than that of vehicle controls and was attributed to nephrotoxicity. Final survival rates were: males--control, 36/50low-dose, 30/50and high-dose 0/50 (p< 0.001)females--control, 43/50low-dose, 34/50and high-dose, 7/50(p < 0.001). The primary cause of death in treated animals was a spectrum of non-neoplastic renal lesions. Renal pelvic epithelial hyperplasia was seen in 0/50 control, 6/50 low dose and 13/50 high-dose males and 0/50 control, 2/50 low-dose and 13/50 high-dose females. Transitional-cell carcinomas of the renal pelvis were observed only in high-dose female rats (6/5Op< 0.001, life table test) at 87-104 weeks18 animals were still alive at 87 weeks. No significant increase in the incidence of tumors at any site was reported in male rats, but, because of a marked reduction in survival, the high dose group was considered to be inadequate for an assessment of carcinogenic activity.In 14-day studies, groups of five Fischer 344/N rats of each sex received 0, 94, 187, 375, 750 or 1500 mg/kg bw CI Acid Orange 3 (purity, 90%) and groups of five B6C3F1 mice of each sex received 0, 62, 125, 250, 500 or 1000 mg/kg bw CI Acid Orange 3 in corn oil by gavage for 14 consecutive days. No compound related toxic effect was observed.In 13-week studies, groups of 10 Fischer 344/N rats of each sex received 0, 94, 187,375, 750 or 1500 mg/kg bw CI Acid Orange 3 and groups of 10 B6C3F1 mice of each sex received 0, 250, 500, 1000 or 2000 mg/kg bw in corn oil by gavage on five days per week. Dose related kidney lesions were observed in rats and mice of each sex, including variable degrees of degeneration and necrosis of epithelial cells in the proximal convoluted tubules, increased basophilia of tubular epithelium and granular casts in the tubules. A marked reduction in survival was observed in female rats that received the highest dose.For more Non-Human Toxicity Excerpts (Complete) data for C.I. ACID ORANGE 3 (8 total), please visit the HSDB record page.
Evidence for CarcinogenicityEvaluation: There is inadequate evidence in humans for the carcinogenicity of CI Acid Orange 3. There is limited evidence in experimental animals for the carcinogenicity of CI Acid Orange 3. Overall evaluation: CI Acid Orange 3 is not classifiable as to its carcinogenicity to humans (Group 3).
Probable Routes of Human ExposureNIOSH (NOES Survey 1981-1983) has statistically estimated that 22,237 workers (14,727 of these are female) are potentially exposed to CI Acid Orange 3 in the US(1). Occupational exposure may be through inhalation and dermal contact with this compound at workplaces where CI Acid Orange 3 is produced or used(SRC). The general population may be exposed to CI Acid Orange 3 via dermal contact with products such as hair dyes which contain CI Acid Orange 3(SRC).
TSCA 収載状態TSCA listed
税関コード32041200
安全措置（S）24/25
有害物質データ6373-74-6(Hazardous Substances Data)