1,2-エタンジスルホン酸二水和物

1,2-エタンジスルホン酸二水和物 · エタン-1,2-ジスルホン酸 · 1,2-エタンジスルホン酸 · 1.2-エタンジスルフォン酸 · 1,2-エタンジスルホン酸 HYDRATE · 1,2-エタンジスルホン酸 DIHYDRATE · NSC-164 · Allergosil

https://huagongshe.com/ja/chemical/8032

識別子と物理属性

CAS No.	110-04-3
分子式	C2H6O6S2
平均分子量	190.2 g/mol
単同位体質量	189.96058025 g/mol
SMILES	O=S(=O)(O)CCS(=O)(=O)O
InChIKey	AFAXGSQYZLGZPG-UHFFFAOYSA-N
PubChem CID	8032
ChEMBL	CHEMBL4546972
EC No.	203-732-0
DTXSID	DTXSID00149089
現地名	1,2-エタンジスルホン酸二水和物

化学・物理的性質

XLogP	-2
極性表面積	126
水素結合供与体数	2
水素結合受容体数	6
回転可能結合数	3
重原子数	10
形式電荷	0
複雑度	239
融点	109 °C
密度	1.545 (estimate)
屈折率	1.5630 (estimate)
貯蔵条件	Sealed in dry,Room Temperature
溶解度	DMSO（控えめに）溶ける
外観・状態	個体
pKa（酸解離定数）	0.71±0.50(Predicted)
色	ホワイトからオフホワイト
Merck	14,3724
InChI	InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey	AFAXGSQYZLGZPG-UHFFFAOYSA-N
SMILES	C(S(O)(=O)=O)CS(O)(=O)=O
CAS データベース	110-04-3(CAS DataBase Reference)

化学的特性

Off-white to greysh-beige crystals and powder

安全性と法規制

GHS 分類	DangerH290 (22.2%): May be corrosive to metals [Warning Corrosive to Metals]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.
Hazard Classes and Categories	Met. Corr. 1 (22.2%)Skin Corr. 1C (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (11.1%)
輸送番号（UN）	2585
税関コード	29041000
危険文句（R）	34
危険表示	C
安全措置（S）	26-36/37/39-45-27
危険等級	8
包装等級	II

用途

使用

It is employed in the preparation of "edisylate" salts. It is also used in biological studies to evaluate cellular metabolism and allergy using guinea pigs as the subject of the studies.