아닐린-2-설폰산
2-Aminobenzenesulfonic acid
기본 정보
- CAS
88-21-1- 표준 SMILES
Nc1ccccc1S(=O)(=O)O- InChIKey
ZMCHBSMFKQYNKA-UHFFFAOYSA-N- 분자식
- C6H7NO3S
- 평균 분자량
- 173.19 g/mol
- 단동위원소 질량
- 173.01466426
개요
2-aminobenzene sulfonic acid is a light brown powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Aminobenzenesulfonic acid
- IUPAC
- 2-aminobenzenesulfonic acid
- 현지명
- 아닐린-2-설폰산
- 영어명
- Aniline-2-sulfonic acid
- 분자식
- C6H7NO3S
- 분자량
- 173.19
이름 및 동의어
2-Aminobenzenesulfonic acid88-21-1Orthanilic acido-Aminobenzenesulfonic acido-Sulfanilic acidAniline-o-sulfonic acid2-Sulfanilic acidAniline-o-sulphonic acid1-Aminobenzene-2-sulfonic acido-Aminophenylsulfonic acidBenzenesulfonic acid, o-amino-DTXSID1024463
이름 더 보기
아닐린-2-설폰산SULPHANILIC ACID2-aminobenzenesulfonateo-SulfanilicSulfoaniline2-SULFOANILINEAniline-2-sulfOrthoanilicacid2-sulfanilicacid
ZB9JSA4BH0NSC-147CHEBI:1015DTXCID2044632-Aminobenzene sulfonic acidortho-sulfanilic acidRefChem:856931201-810-9
데이터베이스 식별자
- CAS
88-21-1- PubChem CID
- 6926
- DTXSID
DTXSID1024463- ChEMBL
CHEMBL1372690- ChEBI
CHEBI:1015- UNII
- ZB9JSA4BH0
- EC Number
- 201-810-9
- Nikkaji
- J4.290K
물성
구조 계산 물성
- XLogP
- 0.4
- 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
Solubility10 to 50 mg/mL at 72 °F (NTP, 1992)
Melting Point617 °F (decomposes) (NTP, 1992)
Physical Description
2-aminobenzene sulfonic acid is a light brown powder. (NTP, 1992)
Solid; [Merck Index] Light brown solid; [CAMEO]
Collision Cross Section
153.23 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
130.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
131.9 Ų [M-H]-
물리화학적 성질
- 녹는점
- 300 °C · 300 °C
- 끓는 점
- 363.26 ℃[at · 363.26℃[at 101 325 Pa]
- 밀도
- 1.342 · 1.342 (estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.55 · 1.5500 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 3.565 g/L · 3.565g/L in organic solvents at 20 ℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (2 of 84) of reports.
Danger
H314 (78.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/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.
유해성 정보
Regulatory InformationREACH registered substance: 2-aminobenzenesulphonic acid (EC: 201-810-9)
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
May cause skin and mucous membrane irritation; [NTP] Causes burns; May cause skin sensitization; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Aniline hemisulfate
Reactive GroupAcids, Weak
Reactivity Profile2-AMINOBENZENE SULFONIC ACID is an amino acid. Reacts weakly with both acids and bases.
Air and Water ReactionsSoluble in water.
화학 및 산업
용도 및 제조
UsesUsed in organic synthesis and to make dyes and pharmaceuticals; [NTP] Used to make dyes and fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationBenzenesulfonic acid, 2-amino-: ACTIVE
응용 분야
일반 설명Light brown powder.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
23건
화합물 노트
불러오는 중…