아닐린-2-설폰산

아닐린-2-설폰산 · SULPHANILIC ACID · ORTHANILIC ACID · 2-AMINOBENZENESULFONIC ACID · 2-aminobenzenesulfonate · o-Sulfanilic · Sulfoaniline · 2-SULFOANILINE

https://huagongshe.com/ko/chemical/6926

식별자 및 물리적 특성

CAS No.	88-21-1
분자식	C6H7NO3S
평균 분자량	173.19 g/mol
단동위원소 질량	173.01466426 g/mol
SMILES	Nc1ccccc1S(=O)(=O)O
InChIKey	ZMCHBSMFKQYNKA-UHFFFAOYSA-N
PubChem CID	6926
ChEMBL	CHEMBL1372690
ChEBI	CHEBI:1015
EC No.	201-810-9
DTXSID	DTXSID1024463
현지명	아닐린-2-설폰산

화학 및 물리적 성질

XLogP	0.4
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
용해도	10 to 50 mg/mL at 72 °F (NTP, 1992)3.565g/L in organic solvents at 20 ℃
녹는점	617 °F (decomposes) (NTP, 1992)300 °C
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 Å² [M+Na]+ [CCS Type: DTMethod: stepped-field]133.9 Å² [M-H]- [CCS Type: DT130.5 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]152.3 Å² [M+Na]+131.9 Å² [M-H]-
끓는 점	363.26℃[at 101 325 Pa]
밀도	1.342 (estimate)
증기압	0Pa at 25℃
굴절률	1.5500 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	결정성 분말
pKa(산도 계수)	2.48(at 25℃)
색상	흰색에서 베이지색
용해도	난용성
Merck	14,6882
BRN	1309204
InChI	1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKey	ZMCHBSMFKQYNKA-UHFFFAOYSA-N
SMILES	Nc1ccccc1S(O)(=O)=O
LogP(분배 계수)	0 at 23℃
NIST	Aniline-o-sulfonic acid(88-21-1)
EPA	o-Aminobenzenesulfonic acid (88-21-1)

화학적 성질

LIGHT BROWN FINE CRYSTALLINE POWDER

안전 및 규제

반응성 그룹
GHS 분류	This chemical does not meet GHS hazard criteria for 2.4% (2 of 84) of reports.DangerH314 (78.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H319 (20.2%): Causes serious eye irritation [Warning Serious eye damage/eye 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.Reported as not meeting GHS hazard criteria per 2 of 84 reports by companies.There are 6 notifications provided by 82 of 84 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Status: Cease Manufacture Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10511Status: Active Update: 26-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29603
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.ACUTE/CHRONIC HAZARDS: This compound may evolve toxic fumes on contact with acids or when heated to decomposition. It may be corrosive to tissues. (NTP, 1992)
유해성 요약	May cause skin and mucous membrane irritation[NTP] Causes burnsMay cause skin sensitization[ECHA REACH Registrations] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] See Aniline hemisulfate

용도

일반 설명

Light brown powder.