메타닐산
메타닐산 · 3-아미노벤젠술폰산 · 3-AMINOBENZENESULFONIC ACID · ANILINE-3-SULFONIC ACID · phenylsulfamic acid · Aminobenzenesulfonic acid · 3-SULFOANILINE · aminobenzenesulfonicacid
식별자 및 물리적 특성
| CAS No. | 121-47-1 |
|---|---|
| 분자식 | C6H7NO3S |
| 평균 분자량 | 173.19 g/mol |
| 단동위원소 질량 | 173.01466408 g/mol |
| SMILES | Nc1cccc(S(=O)(=O)O)c1 |
| InChIKey | ZAJAQTYSTDTMCU-UHFFFAOYSA-N |
| PubChem CID | 8474 |
| ChEMBL | CHEMBL1456811 |
| ChEBI | CHEBI:27764 |
| EC No. | 204-473-6 |
| DTXSID | DTXSID6024462 |
| 현지명 | 메타닐산 |
화학 및 물리적 성질
| XLogP | -0.2 |
|---|---|
| 극성 표면적 | 88.8 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 218 |
| 물질 분류 | Nitrogen Compounds -> Aminobenzenesulfonic Acids |
| 밀도 | 1.69 (NTP, 1992) - Denser than waterwill sink |
| 용해도 | less than 1 mg/mL at 72 °F (NTP, 1992)에탄올: 매우 약간 용해됨(lit.) |
| 녹는점 | Decomposes without melting (NTP, 1992)>300 °C (lit.) |
| 증기압 | 0.0000002 [mmHg] |
| Physical Description | 3-aminobenzene sulfonic acid appears as white powder. Small colorless needlestoxic.Colorless or white solid[CAMEO] Light brown powder[Sigma-Aldrich MSDS] |
| 굴절률 | 1.5500 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 3.73(at 25℃) |
| 색상 | 흰색에서 회색빛이 도는 베이지색 |
| 용해도 | 약간 용해됨 |
| Merck | 14,5927 |
| BRN | 473264 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제, 산과 호환되지 않습니다. |
| InChI | 1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) |
| InChIKey | ZAJAQTYSTDTMCU-UHFFFAOYSA-N |
| SMILES | Nc1cccc(c1)S(O)(=O)=O |
| LogP(분배 계수) | -2.77 at 21℃ |
| NIST | Metanilic acid(121-47-1) |
| EPA | Metanilic acid (121-47-1) |
화학적 성질
white powder
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: Benzenesulfonic acid, 3-amino-Benzenesulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 3-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: 14-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19037 |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes. |
| 유해성 요약 | Increased water consumption (males) and decreased urinary pH (both sexes) observed in 28-day oral study of rats at the highest tested dose (1,000 mg/kg/day)[JECDB] A mild eye irritant[RTECS] A skin and mucous membrane irritant[NTP] An eye irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 3-AMINOBENZENE SULFONIC ACID is an amino acid. Reacts weakly with both acids and bases. |
| Air and Water Reactions | Water insoluble [Hawley]. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 * |
| 소화 | Fires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | 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. |
| 비화재 누출 대응 | 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 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. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 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) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | OY2300000 |
| 운송 번호(UN) | 3261 |
| 관세 코드 | 29214200 |
| 위험 문구(R) | 20/21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 23-28-28A-25 |
| 위험 등급 | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
| 기존화학 물질 | KE-01191 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
용도
Metanilic acid was used in the synthesis of cytocompatible sulfonated polyanilines. It was used in fabrication of novel glucose biosensor having large active surface area and excellent conductivity. It undergoes microbial desulfonation to 3-aminophenol by Pseudomonas sp. strain S-313. It can be used to produce CN3O6(1-)*Cs(1+) and dicesium salt of N-nitrometanilic acid at temperature of 25°C.
일반 설명
White powder. Small colorless needles; toxic.
제조 및 합성 방법
생산 방법
Metanilic acid can be obtained by sulfonation of aniline sulfate with oleum and boric acid at 20 – 50 ℃. The yield is 98%. For industrial production, however, nitrobenzene is sulfonated to m-nitrobenzenesulfonic acid, which is then reduced either with iron or catalytically with hydrogen. Crude 3-aminobenzenesulfonic acid can be used directly, either as a solution or dried, to obtain 3-aminophenol by alkali fusion. It is not sufficiently pure for use in dye manufacture, however. Therefore the crude solution is acidified; after filtration the product thus obtained is of satisfactory purity.