1,3-Propanedisulfonic acid

Eprodisate · (50-60% in Water) · propane-1,3-disulfonicaci · 1,3-PROPANEDISULFONIC ACID · propane-1,3-disulfonic acid · DISODIUM 1,3-PROPANEDISULFONATE · 1,3-Propanedisulfonic Acid DISODIUM 1,3-PROPANEDISULPHONATE · DISODIUM PROPANE-1,3-DISULFONATE

https://huagongshe.com/ko/chemical/428573

식별자 및 물리적 특성

CAS No.	21668-77-9
분자식	C3H8O6S2
평균 분자량	204.2 g/mol
단동위원소 질량	203.97623032 g/mol
SMILES	O=S(=O)(O)CCCS(=O)(=O)O
InChIKey	MGNVWUDMMXZUDI-UHFFFAOYSA-N
PubChem CID	428573
ChEMBL	CHEMBL2111092
EC No.	679-154-1
DTXSID	DTXSID4048301

화학 및 물리적 성질

XLogP	-1.6
극성 표면적	126
수소 결합 공여자 수	2
수소 결합 수용자 수	6
회전 가능 결합 수	4
무거운 원자 수	11
형식 전하	0
복잡도	254
녹는점	120-124 ºC
끓는 점	157 °C(Press: 1.4 Torr)
밀도	1.33
굴절률	1.4220
저장 조건	Store at -20°C
용해도	DMSO: ≥ 125 mg/mL (612.09 mM)
pKa(산도 계수)	1.21±0.50(Predicted)
물리적 상태	투명한 액체
색상	무색~연황색
InChI	InChI=1S/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)
InChIKey	MGNVWUDMMXZUDI-UHFFFAOYSA-N
SMILES	C(S(O)(=O)=O)CCS(O)(=O)=O

안전 및 규제

GHS 분류	DangerH302 (88.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (88.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H332 (88.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 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	Acute Tox. 4 (88.4%)Skin Corr. 1B (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	3265
관세 코드	2904.10.5000
위험 문구(R)	36/37/38-34-20/21/22
위험 표시	Xi,C
안전 문구(S)	26-36-45-36/37/39-27
포장분류	III
위험 등급	8Eye Dam. 1Skin Corr. 1B
저장 분류	8A - Combustible corrosive hazardous materials

용도

Treatment of secondary (AA) amyloidosis.