메타닐산
3-Aminobenzenesulfonic acid
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기본 정보
- CAS
121-47-1- 표준 SMILES
Nc1cccc(S(=O)(=O)O)c1- InChIKey
ZAJAQTYSTDTMCU-UHFFFAOYSA-N- 분자식
- C6H7NO3S
- 평균 분자량
- 173.19 g/mol
- 단동위원소 질량
- 173.01466408
개요
3-aminobenzene sulfonic acid appears as white powder. Small colorless needles; toxic.
이름 및 식별자
- 우선 이름
- 3-Aminobenzenesulfonic acid
- IUPAC
- 3-aminobenzenesulfonic acid
- 현지명
- 메타닐산
- 영어명
- Metanilic acid
- 분자식
- C6H7NO3S
- 분자량
- 173.19
이름 및 동의어
Metanilic acid3-AMINOBENZENESULFONIC ACID121-47-1m-Aminobenzenesulfonic acidm-Sulfanilic acidBenzenesulfonic acid, 3-amino-m-Anilinesulfonic acid1-Aminobenzene-3-sulfonic acidKyselina metanilovaAniline-m-sulfonic acid3-AMINOBENZENE SULFONIC ACIDDTXSID6024462
이름 더 보기
메타닐산3-아미노벤젠술폰산3-아미노벤젠술폰산ANILINE-3-SULFONIC ACIDphenylsulfamic acidAminobenzenesulfonic acid3-SULFOANILINEaminobenzenesulfonicacidmetanilicMetanilsureMetanilc Acid
OT03NUM20PNSC-4504DTXCID804462CHEBI:27764RefChem:811221204-473-63-Aminobenzenesulphonic acid3-Amino-benzenesulfonic acid
데이터베이스 식별자
- CAS
121-47-1- PubChem CID
- 8474
- DTXSID
DTXSID6024462- ChEMBL
CHEMBL1456811- ChEBI
CHEBI:27764- UNII
- OT03NUM20P
- EC Number
- 204-473-6
- Nikkaji
- J2.487B
물성
구조 계산 물성보충 중
- XLogP
- -0.2
- 극성 표면적
- 88.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 218
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids
Density1.69 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting PointDecomposes without melting (NTP, 1992)
Vapor Pressure0.0000002 [mmHg]
Physical Description
3-aminobenzene sulfonic acid appears as white powder. Small colorless needles; toxic.
Colorless or white solid; [CAMEO] Light brown powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C (lit.)
- 밀도
- 1.69 · 1.69
- 굴절률
- 1.55 · 1.5500 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 에탄올: 매우 약간 용해됨(lit.)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.73 · 3.73(at 25℃)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: 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)
Warning
H302 (100%): 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)
유해성 정보
Regulatory Information
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
DOT LabelCorrosive
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes.
Hazards Summary
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 irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]
Reactive GroupAmines, Phosphines, and Pyridines
화학 및 산업
용도 및 제조
UsesUsed to make sulfa drugs; The sodium salt is used to make azo dyes; [Merck Index] Used to make fine chemicals; [ECHA REACH Registrations]
U.S. Production2023: <50,000 lb
General Manufacturing InformationBenzenesulfonic acid, 3-amino-: ACTIVE
응용 분야
용도Metanilic 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 설명White powder. Small colorless needles; toxic.
제조 방법
생산 방법Metanilic 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.
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