6-benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt

HCID 9570474CAS 30931-67-0

基本情報

標準SMILES: CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)[O-])ccc3n2CC)sc2cc(S(=O)(=O)[O-])ccc21.[NH4+].[NH4+]
InChIKey: OHDRQQURAXLVGJ-AXMZSLBLSA-N
分子式: C18H24N6O6S4
平均分子量: 548.7 g/mol
単同位体質量: 548.06401649

名称と識別子

優先名称: 6-benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt
IUPAC: diazanium;(2Z)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate

名称と別名

Diammonium 2,2'-azinobis(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate)6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium saltDiammonium 2,2'-azinobis[3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate]6-Benzothiazolesulfonic acid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium saltRefChem:540439250-396-630931-67-0ABTS diammonium salt6-BENZOTHIAZOLINESULFONIC ACID, 2,2'-AZINOBIS(3-ETHYL-, AMMONIUM SALT (1:2)Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate)ABTS (ammonium salt)2,2'-Azinobis(3-ethylbenzthiazoline-6-sulfonate) diammonium salt

名称をさらに表示

EINECS 250-396-62,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt2,2'-Azino-di(3-ethyl-benzthiazoline sulphonic acid (6)), ammonium salt2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt)DTXSID5013512716-Benzothiazolesulfonic acid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro-, ammonium salt (1:2)AKOS024319622NS00127346

データベース識別子

CAS: 30931-67-0
PubChem CID: 9570474
DTXSID: DTXSID501351271
EC Number: 250-396-6

物性

構造計算による物性

極性表面積: 215 Å²
水素結合供与体数: 2
水素結合受容体数: 10
回転可能結合数: 3
重原子数: 34
形式電荷: 0
複雑度: 883

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information6-Benzothiazolesulfonic acid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)