2-아미노-1,5-나프탈렌디설폰산

2-아미노-1,5-나프탈렌디설폰산 · 2-아미노-1,5-나프탈렌디술폰산 · 2-아미노-1,5-나프탈렌디설폰산(2-AMINO-1,5-NAPHTHALENEDISULFONICACID) · SULFO TOBIAS ACID · D SALT · 5-sulfo-tobiasaci · SULPHOTOBIAS ACID · Sulfonic Tobias Acid

https://huagongshe.com/ko/chemical/8338

식별자 및 물리적 특성

CAS No.	117-62-4
분자식	C10H9NO6S2
평균 분자량	303.3 g/mol
단동위원소 질량	302.98712901 g/mol
SMILES	Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O
InChIKey	YAIKCRUPEVOINQ-UHFFFAOYSA-N
PubChem CID	8338
ChEMBL	CHEMBL1731910
EC No.	204-201-6
DTXSID	DTXSID0045040
현지명	2-아미노-1,5-나프탈렌디설폰산

화학 및 물리적 성질

XLogP	0.5
극성 표면적	152
수소 결합 공여자 수	3
수소 결합 수용자 수	7
회전 가능 결합 수	2
무거운 원자 수	19
형식 전하	0
복잡도	531
Collision Cross Section	159.4 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID9044611]
끓는 점	205.8°C (rough estimate)
밀도	1.6329 (rough estimate)
굴절률	1.7330 (estimate)
저장 조건	2-8°C
pKa(산도 계수)	-0.51±0.40(Predicted)
용해도	녹는
InChI	InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey	YAIKCRUPEVOINQ-UHFFFAOYSA-N
SMILES	C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2)=CC=C1N
LogP(분배 계수)	-1.85
EPA	1,5-Naphthalenedisulfonic acid, 2-amino- (117-62-4)

화학적 성질

BEIGE POWDER

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 6.8% (4 of 59) of reports.DangerH318 (15.3%): 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 59 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 12-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/208301,5-Naphthalenedisulfonic acid, 2-amino-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Eye Dam. 1 (15.3%)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	QJ6135000
운송 번호(UN)	1759
독성	LD50 oral in rat: 5430mg/kg
위험 문구(R)	36-34
위험 표시	Xi,C
안전 문구(S)	26-28A
포장분류	III
위험 등급	8
기존화학 물질	KE-01491
F 고인화성물질	8-10

용도

개요

2-Aminonaphthalene-1,5-disulfonic acid [117-62-4]. 5-sulfo-Tobias acid, C10H9NO6S2, Mr 303.32, is purified by crystallization of the dipotassium salt from water. Alkali fusion results in formation of 2-amino-5-hydroxynaphthalene-1-sulfonic acid. Sulfonation (40 % oleum, 100℃) gives 2-aminonaphthalene-1,5,7-trisulfonic acid. Heating with aqueous sulfuric acid produces 2-aminonaphthalene-5- sulfonic acid. The diazo compound is converted to 2-diazo-1-hydroxynaphthalene-5-sulfonic acid on treatment with alkaline hypochlorite.