1,2-Ethanedisulfonic Acid

HCID 8032CAS 110-04-3

기본 정보

표준 SMILES: O=S(=O)(O)CCS(=O)(=O)O
InChIKey: AFAXGSQYZLGZPG-UHFFFAOYSA-N
분자식: C2H6O6S2
평균 분자량: 190.2 g/mol
단동위원소 질량: 189.96058025

이름 및 식별자

우선 이름: 1,2-Ethanedisulfonic Acid
IUPAC: ethane-1,2-disulfonic acid
영어명: 1,2-Ethanedisulfonic acid
분자식: C2H6O6S2
분자량: 190.2

이름 및 동의어

1,2-ETHANEDISULFONIC ACID110-04-3Allergosil1,2-Ethanedisulphonic acidDL69Y31QQVEINECS 203-732-0DTXSID001490891,2-ETHANEDISULFONIC ACID [MI]1,2-ETHANEDISULFONIC ACID, FREE ACIDRefChem:412059DTXCID6071580203-732-0

이름 더 보기

NSC-164Ethanedisulphonicacidethylene disulfonic acidETHANEDISULFONIC ACID(1,2-)1,2-Ethanedisulfonic Acid Ethane-1,2-disulfonic acid hydrate

ethane-1,2-disulfonic acidethylenedisulfonic acidethane disulfonic acidMFCD00069901UNII-DL69Y31QQVEthane-alpha,beta-disulfonic Acid; Ethanedisulfonic Acid; Ethylenedisulfonic Acid;Mesna Impurity 9ethandisulfonic acid

데이터베이스 식별자

CAS: 110-04-3
PubChem CID: 8032
DTXSID: DTXSID00149089
ChEMBL: CHEMBL4546972
UNII: DL69Y31QQV
EC Number: 203-732-0
Nikkaji: J23.388I

물성

구조 계산 물성

XLogP: -2
극성 표면적: 126 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 239

물리화학적 성질

녹는점: 109 °C · 109 °C
밀도: 1.545 · 1.545 (estimate)
굴절률: 1.563 · 1.5630 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(소량으로 용해)
물리적 상태: 고체
산도 계수 (pKa): 0.71 · 0.71±0.50(Predicted)
색상: 흰색에서 황백색까지
수용성: 녹는
Merck: 14 · 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

화학적 성질

Off-white to greysh-beige crystals and powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H290 (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.

유해성 정보

Hazard Classes and CategoriesMet. Corr. 1 (22.2%)；Skin Corr. 1C (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (11.1%)

안전 데이터

ridadr: 2585
HS 번호: 29041000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-27
포장분류: II
위험 등급: 8

화학 및 산업

응용 분야

용도It 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.