2,3-Dihydro-thieno(3,4-b)(1,4)dioxin-5,7-dicarboxylic acid

HCID 728841CAS 18361-03-0

기본 정보

표준 SMILES: O=C(O)c1sc(C(=O)O)c2c1OCCO2
InChIKey: NWIYUAISDYJVMZ-UHFFFAOYSA-N
분자식: C8H6O6S
평균 분자량: 230.2 g/mol
단동위원소 질량: 229.98850891

이름 및 식별자

우선 이름: 2,3-Dihydro-thieno(3,4-b)(1,4)dioxin-5,7-dicarboxylic acid
IUPAC: 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
영어명: 2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene
분자식: C8H6O6S
분자량: 230.19

이름 및 동의어

EC 605-999-22,3-Dihydro-thieno(3,4-b)(1,4)dioxin-5,7-dicarboxylic acid2,3-Dihydrothieno[3,4-b]-1,4-dioxin-5,7-dicarboxylic acid2,3-Dihydro-thieno[3,4-b][1,4]dioxin-5,7-dicarboxylic acid2,3-Dihydrothieno(3,4-b)-1,4-dioxin-5,7-dicarboxylic acidRefChem:442382605-999-218361-03-02,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene3,4-Ethylenedioxythiophene-2,5-dicarboxylic acidC8H6O6S

이름 더 보기

3,4-ETHYLENEDIOXOTHIOPHENE-2,5-DICA3,4-Ethylendioxythiophen-2,5-dicarbonsure3,4-ETHYLENEDIOXOTHIOPHENE-2,5-DICARBOXYLIC ACID3,4-Ethylenedioxythiophene-2,5-dicarboxylicAcid>EDOT，2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene2,3-Dihydro-thieno[3,4-b]-p-dioxin-5,7-dicarboxylic acidThieno[3,4-B]-1,4-Dioxin-5,7-DicarboxylicAcid,2,3-Dihydro-

MFCD00966477Thieno[3,4-b]-1,4-dioxin-5,7-dicarboxylic acid, 2,3-dihydro-2H,3H-thieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acidTQP0129EU-0019397F20526SR-01000534747-12,3-Dihydrothieno[3,4-b]-1,4-dioxine-5,7-dicarboxylic Acid

데이터베이스 식별자

CAS: 18361-03-0
PubChem CID: 728841
DTXSID: DTXSID401036117
ChEMBL: CHEMBL1173788
EC Number: 605-999-2
Nikkaji: J1.867.214F

물성

구조 계산 물성

XLogP: 1
극성 표면적: 121 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 265

물리화학적 성질

녹는점: 319.5 · 319.5-321.2 °C
끓는 점: 482.6 · 482.6±45.0 °C(Predicted)
밀도: 1.732 · 1.732±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
용해도: slightly sol. in Dimethylformamide
물리적 상태: powder to crystal
산도 계수 (pKa): 3.56 · 3.56±0.20(Predicted)
색상: 흰색에서 밝은 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 18-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11533

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2934.99.4400

화학 및 산업

응용 분야

용도2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid is a useful reactant for a metal-organic framework biosensor that was used to detect ascorbic acid (AA).