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기본 정보
- CAS
1008-72-6- 표준 SMILES
O=Cc1ccccc1S(=O)(=O)[O-].[Na+]- InChIKey
ADPUQRRLAAPXGT-UHFFFAOYSA-M- 분자식
- C7H5NaO4S
- 평균 분자량
- 208.17 g/mol
- 단동위원소 질량
- 207.98062409
이름 및 식별자
- 우선 이름
- Sodium o-formylbenzenesulfonate
- IUPAC
- sodium 2-formylbenzenesulfonate
- 현지명
- 벤즈알데히드-2-술폰산나트륨
- 영어명
- 2-Formylbenzenesulfonic acid sodium salt
- 분자식
- C7H5NaO4S
- 분자량
- 208.17
이름 및 동의어
Sodium 2-formylbenzenesulfonate2-Formylbenzenesulfonic acid sodium saltSodium o-formylbenzenesulfonateBenzenesulfonic acid, 2-formyl-, sodium saltSodium benzaldehyde-2-sulfonate2-Sulfobenzaldehyde, sodium saltBenzenesulfonic acid, 2-formyl-, sodium salt (1:1)Sodium o-benzaldehyde sulfonateDTXSID5041643o-Formylbenzenesulfonic acid sodium saltBenzaldehyde-2-sulfonic acid sodium saltBenzaldehyde-o-sulfonic acid sodium salt
이름 더 보기
O-벤즈알데하이드술폰산나트륨염O-벤즈알데히드술폰산나트륨염벤즈알데히드-2-술폰산나트륨O-벤즈알데하이드술폰산나트륨염(O-BENZALDEHYDESULFONICACIDSODIUMSALT)벤즈알데하이드-2-술폰산 나트륨염2-SULFOBENZALDEHYDE SODIUM SALT2-formylbenzenesulfonate2-Formylbenzenesulfonic Acid Sodium2-SuLOSAD-NAfobenzaLdehyde Sodium SaL2-FormylbenzenesulfoO-benzaldehyde sulfonate
Sodium 2-formylbenzenesulphonateLH8XH59068Benzenesulfonic acid, o-formyl-, sodium saltNSC 4868EINECS 213-758-4DTXCID3021643NSC-4868RefChem:887743
데이터베이스 식별자
- CAS
1008-72-6- PubChem CID
- 3794540
- DTXSID
DTXSID5041643- ChEMBL
CHEMBL3182431- UNII
- LH8XH59068
- EC Number
- 213-758-4
- Nikkaji
- J168.593G
물성
구조 계산 물성보충 중
- 극성 표면적
- 82.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 256
실험 및 물리화학적 성질
Physical Description
Dry Powder; Other Solid
Light beige crystalline powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300°C
- 끓는 점
- 562.39 ℃[at · 562.39℃[at 101 325 Pa]
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 2 O: · H2O: 가용성 1g/10mL, 투명, 무색 내지 희미한 갈색을 띤 노란색
- 물리적 상태
- 가루
- 색상
- 흰색에서 연한 노란색
- 수용성
- 1000 g/L · 1000g/L at 25℃
- BRN
- 4040884 · 4040884
- 안정성
- 안정적인. 공기에 민감합니다. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C7H6O4S.Na/c8-5-6-3-1-2-4-7(6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1
- InChIKey
- ADPUQRRLAAPXGT-UHFFFAOYSA-M
- SMILES
- C1(C=O)C=CC=CC=1S([O-])(=O)=O.[Na+]
- LogP
- -3.23 at · -3.23 at 25℃
- EPA
- 2 · Benzenesulfonic acid, 2-formyl-, sodium salt (1008-72-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 97.3% (180 of 185) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 180 of 185 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 180 of 185 reports by companies.；There are 4 notifications provided by 5 of 185 reports by companies with hazard statement code(s).；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
Regulatory Information
Chemical: Benzenesulfonic acid, 2-formyl-, sodium salt
Benzenesulfonic acid, 2-formyl-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-formyl-, sodium salt (1:1) 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)
Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18320
Benzenesulfonic acid, 2-formyl-, sodium 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 SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
규제 정보
화학 및 산업
용도 및 제조
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 100,000 - <250,000 lb；2022: 1,000,000 - <2,500,000 lb；2021: 2,500,000 - <4,000,000 lb；2020: 1,000,000 - <2,500,000 lb
Industry UsesDye
General Manufacturing Information
Food, beverage, and tobacco product manufacturing
Benzenesulfonic acid, 2-formyl-, sodium salt (1:1): ACTIVE
응용 분야
개요2-Formylbenzenesulfonic acid sodium salt (Sodium o-sulfonate benzaldehyde) is the primary intermediate for synthesizing fluorescent whitening agent CBS, triphenylmethane dye, and moth-repellent N. Fluorescent whitening agent CBS is a new fluorescent whitening agent. It has excellent resistance to chlorine bleaching, acid and alkali resistance, and sunlight resistance. It is an ideal additive for light, textile, and daily chemical industries, mainly used in washing powders, laundry pastes, soaps, toilet soaps, and liquid detergents. Improve the performance of the product, improve the intrinsic quality and appearance quality of the product. Industrially, 2-Formylbenzenesulfonic acid sodium salt is usually obtained by sulfonating sodium sulfite in water with o-chlorobenzaldehyde as the raw material and potassium iodide as the catalyst. The catalyst can be potassium iodide, sodium iodide, and other inorganic substances containing iodide ions.
용도2-Formylbenzenesulfonic acid sodium salt was used as precursor to test the ability of fungal strains for transformation of phenolic and non-phenolic precursors into stable and non-toxic dyes.
일반 설명2-Formylbenzenesulfonic acid sodium salt reacts with chitosan in the presence of sodium cyanoborohydride to yield N-benzyl derivatives.
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