2-아미노-3,6,8-나프탈렌트리술폰산

2-아미노-3,6,8-나프탈렌트리술폰산 · K-ACID · AMINO K ACID · 2-R amino acid · kyselinakochova · Amino K Acid(K Acid) · 2-NAPHTHYLAMINE-3,6,8-TRISULFONIC ACID · 6-naphthalenetrisulfonicacid,7-amino-3

https://huagongshe.com/ko/chemical/8349

식별자 및 물리적 특성

CAS No.	118-03-6
분자식	C10H9NO9S3
평균 분자량	383.4 g/mol
단동위원소 질량	382.94394387 g/mol
SMILES	Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O
InChIKey	GFPQSWFFPRQEHH-UHFFFAOYSA-N
PubChem CID	8349
EC No.	204-229-9
DTXSID	DTXSID4059465
현지명	2-아미노-3,6,8-나프탈렌트리술폰산

화학 및 물리적 성질

XLogP	-0.7
극성 표면적	214
수소 결합 공여자 수	4
수소 결합 수용자 수	10
회전 가능 결합 수	3
무거운 원자 수	23
형식 전하	0
복잡도	756
끓는 점	702.53℃[at 101 325 Pa]
밀도	1.7995 (rough estimate)
굴절률	1.6800 (estimate)
저장 조건	2-8°C
pKa(산도 계수)	-1.27±0.40(Predicted)
용해도	1000g/L at 25℃
InChI	InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChIKey	GFPQSWFFPRQEHH-UHFFFAOYSA-N
SMILES	C1(S(O)(=O)=O)=C2C(C=C(S(O)(=O)=O)C(N)=C2)=CC(S(O)(=O)=O)=C1
LogP(분배 계수)	-11.96
EPA	1,3,6-Naphthalenetrisulfonic acid, 7-amino- (118-03-6)

화학적 성질

2-Aminonaphthalene-3,6,8-trisulfonic acid [118-03-6]. (7-aminonaphthalene-1,3,6- trisulfonic acid), C10H9NO9S3, Mr 383.36, and its disodium salts are soluble in water, but the dipotassium salt is much less soluble. Reduction with zinc dust and alkali results in 2-aminonaphthalene-3,6-disulfonic acid, and caustic fusion at 240℃ gives 2-amino-8-hydroxynaphthalene-3,6-disulfonic acid.

안전 및 규제

GHS 분류	DangerH314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P203, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P321, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 1,3,6-Naphthalenetrisulfonic acid, 7-amino-Status: Active Update: 12-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20735
Hazard Classes and Categories	Skin Corr. 1B (50%)
TSCA 등재 상태	TSCA listed
독성	rat,LD50,oral,13gm/kg (13000mg/kg),"Prehled Prumyslove ToxikologieOrganicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.
기존화학 물질	KE-01504