기본 정보
- CAS
149-45-1- 표준 SMILES
O.O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
ZLRROLLKQDRDPI-UHFFFAOYSA-L- 분자식
- C6H6Na2O9S2
- 평균 분자량
- 332.2 g/mol
- 단동위원소 질량
- 331.92486268
개요
See also: Tiron (annotation moved to).
이름 및 식별자
- 우선 이름
- Tiron monohydrate
- IUPAC
- disodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrate
- 영어명
- 4 5-Dihydroxy-1 3-benzenedisulfonic aci&
- 분자식
- (OH)2C6H2(SO3Na)2H2O
- 분자량
- 332.22
이름 및 동의어
270573-71-2Tiron monohydrateUNII-KHT84Q5M4RKHT84Q5M4R4,5-Dihydroxy-1,3-benzenedisulfonic acid disodium salt monohydrate1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt, monohydrate1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt, hydrate (1:2:1)DTXSID20181527RefChem:190129DTXCID60104018Sodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate149-45-1
이름 더 보기
Disodium catecholdisulfonate4,5-dihydroxybenzene-1,3-disulfonate4 5-Dihydroxy-1 3-benzenedisulfonic aci&Sodium hydroquinone 3,5-disulfonate hydrateCatechol-3,5-disulfonic acid sodium salt hydrateA11439 1,2-Dihydroxybenzene-3,5-disulfonic acid disodium1,2-Dihydroxybenzene-3,5-disulfononic acid disodium salt4,5-Dihydroxy-1,3-benzenedisulfonic acid monohydrate disodium saltTiron,4,5-Dihydroxy-1,3-benzenedisulfonic acid disodium salt monohydrate
Catechol-3,5-disulfonic Acid Disodium Salt Monohydratedisodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrateMFCD001495314,5-dihydroxybenzene-1,3-disulfonic acid, sodium salt, sodium salt, hydrate1,3-Benzenedisul1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt monohydrate1,3-Benzenedisulfonicacid, 4,5-dihydroxy-, sodium salt, hydrate (1:2:1)orb1987288
물성
구조 계산 물성
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 413
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Chelating Agents
Physical Description
Dry Powder
Solid; [Merck Index] Off-white crystalline powder; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 가루
- 색상
- 흰색에서 보라색까지
- 수용성
- 물에 쉽게 용해됩니다.
- Merck
- 13 · 13,9542
- InChI
- 1S/C6H6O8S2.2Na.H2O/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2
- InChIKey
- ZLRROLLKQDRDPI-UHFFFAOYSA-L
- SMILES
- O.[Na+].[Na+].Oc1cc(cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (88.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Disodium 4,5-dihydroxybenzene-1,3-disulphonate (EC: 205-741-5)
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and Categories
Skin Irrit. 2 (88.2%)
Skin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- Yes
- HS 번호
- 29089990
- risk_code
화학 및 산업
용도 및 제조
Uses
A chelating agent used in the determination of trace metals; [Merck Index] A minor component of photo processing chemicals; [IUCLID]
Photographic Processing [Category: Other]
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2): ACTIVE
응용 분야
용도1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt monohydrate, is used as a colorimetric reagent for iron, manganese, titanium, molybdenum, and complexes of zirconium. It is used as a metal indicator. It is used for Chelate titration, colorimetry, fluorometry and masking reagent. It is used in chemical research, pharmaceutical research and as a pharmaceutical intermediate.
일반 설명4,5-Dihydroxy-1,3-benzenedisulfonic acid disodium salt monohydrate is an antioxidant compound that is structurally similar to vitamin E.
공급사53 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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