4-Amino-1,3-benzenedisulfonic acid

4-Aminobenzene-1,3-Disulfonic Acid · ANILINE-2,4-DISULFONIC ACID · ANILINE-2,4-DISULPHONIC ACID · 4-Amino-m-benzenedisulfonicacid · 4-amino-3-benzenedisulfonicacid · 4-Aminobenzene-1,3-disulfonicaci · 3-Benzenedisulfonicacid,4-amino-1 · 4-Amino-1,3-benzenedisulfonic acid

https://huagongshe.com/ko/chemical/67304

4-Amino-1,3-benzenedisulfonic acid 분자 구조식

식별자 및 물리적 특성

CAS No.	137-51-9
분자식	C6H7NO6S2
평균 분자량	253.3 g/mol
단동위원소 질량	252.97147894 g/mol
SMILES	Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O
InChIKey	IMUUNYPYNWXUBO-UHFFFAOYSA-N
PubChem CID	67304
EC No.	205-299-3
DTXSID	DTXSID4059675

화학 및 물리적 성질

XLogP	-1.6
극성 표면적	152
수소 결합 공여자 수	3
수소 결합 수용자 수	7
회전 가능 결합 수	2
무거운 원자 수	15
형식 전하	0
복잡도	416
녹는점	>259°C (dec.)
끓는 점	497.45℃[at 101 325 Pa]
밀도	1.844±0.06 g/cm3(Predicted)
증기압	0Pa at 25℃
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	수용액(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
pKa(산도 계수)	-0.93±0.48(Predicted)
물리적 상태	고체
색상	흰색에서 회색으로
용해도	4.3g/L at 21℃
안정성	흡습성
InChI	InChI=1S/C6H7NO6S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
InChIKey	IMUUNYPYNWXUBO-UHFFFAOYSA-N
SMILES	C1(S(O)(=O)=O)=CC=C(N)C(S(O)(=O)=O)=C1
LogP(분배 계수)	-0.959 at 21℃
EPA	1,3-Benzenedisulfonic acid, 4-amino- (137-51-9)

안전 및 규제

GHS 분류	DangerH318 (71.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 145 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 11-01-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12587
Hazard Classes and Categories	Eye Dam. 1 (71.7%)
TSCA 등재 상태	TSCA listed
기존화학 물질	KE-01184

제조 및 합성 방법

생산 방법

4-Amino-1,3-benzenedisulfonic acid is freely soluble in water and ethyl alcohol. It is prepared by sulfonating 4-aminobenzenesulfonic acid with oleum at 20 ℃ and130 ℃ (4 – 6.5 h), draining the sulfonation mixture into water under pressure, adding lime at 70 – 75 ℃, separating the resulting gypsum, precipitating the calcium ions with soda, removing the calcium carbonate formed, and concentrating the sodium salt solution by evaporation. Yield 90 – 91%