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기본 정보
- CAS
260063-21-6- 표준 SMILES
O=C(O)c1scc2c1OCCO2- InChIKey
DCCRIIFBJZOPAV-UHFFFAOYSA-N- 분자식
- C7H6O4S
- 평균 분자량
- 186.19 g/mol
- 단동위원소 질량
- 185.99867984
이름 및 식별자
- 우선 이름
- 2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carboxylic acid
- IUPAC
- 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
- 현지명
- 2,3-디히드로티에노[3,4-B][1,4]디옥신-5-카르복실산
- 영어명
- 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
- 분자식
- C7H6O4S
- 분자량
- 186.19
이름 및 동의어
260063-21-62,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acidDTXSID004243432,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carboxylic acidRefChem:244896DTXCID30375177800-580-22H,3H-thieno[3,4-b][1,4]dioxine-5-carboxylic acid2,3-Dihydro-thieno[3,4-b][1,4]dioxine-5-carboxylic acidThieno[3,4-b]-1,4-dioxin-5-carboxylic acid, 2,3-dihydro-MFCD078011022H,3H-thiopheno[3,4-e]1,4-dioxane-5-carboxylic acid
이름 더 보기
2,3-디히드로티에노[3,4-B][1,4]디옥신-5-카르복실산2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid(SALTDATA: FREE)
SCHEMBL1341232TQP0130DCCRIIFBJZOPAV-UHFFFAOYSA-NHMS1697O01Thieno[3,4-b]-1,4-dioxin-5-carboxylicacid, 2,3-dihydro-KKA06321SBB090393AKOS000558515
데이터베이스 식별자
- CAS
260063-21-6- PubChem CID
- 6483880
- DTXSID
DTXSID00424343- EC Number
- 800-580-2
물성
구조 계산 물성보충 중
- XLogP
- 1.2
- 극성 표면적
- 84 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 196
물리화학적 성질
- 녹는점
- 205 °C · 205 °C
- 끓는 점
- 352.8 · 352.8±42.0 °C(Predicted)
- 밀도
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 4.31 · 4.31±0.20(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
- InChIKey
- DCCRIIFBJZOPAV-UHFFFAOYSA-N
- SMILES
- OC(=O)c1scc2OCCOc12
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (95.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.6%)；STOT SE 3 (100%)
안전 데이터
- wgk
- WGK 3
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- 위험 등급
- IRRITANT
- Hazard Classifications
화학 및 산업
공급사20 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
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