기본 정보
- 표준 SMILES
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.[Na+]- InChIKey
GGCZERPQGJTIQP-UHFFFAOYSA-M- 분자식
- C14H7NaO5S
- 평균 분자량
- 310.26 g/mol
- 단동위원소 질량
- 309.99118878
이름 및 식별자
- 우선 이름
- Sodium 2-anthraquinonesulfonate
- IUPAC
- sodium 9,10-dioxoanthracene-2-sulfonate
- 현지명
- 2-안트라퀴논술폰산 나트륨 염
- 영어명
- Sodium anthraquinone-2-sulfonate
- 분자식
- C14H9NaO5S
- 분자량
- 311.27
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
131-08-8- PubChem CID
- 23661981
- DTXSID
DTXSID4044535- ChEMBL
CHEMBL3184279- UNII
- 511H72SDVX
- EC Number
- 205-009-5
- Nikkaji
- J79.454F
물성
구조 계산 물성
- 극성 표면적
- 99.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 538
실험 및 물리화학적 성질
Physical Description
CBI
Beige powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 밀도
- 1.66 · 1.66[at 20℃]
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- powder
- 산도 계수 (pKa)
- -1.8 · -1.8 (approx)
- 수용성
- 뜨거운 물, 찬 물에 용해되고 알코올이나 에테르에는 용해되지 않습니다.
- BRN
- 3580452 · 3580452
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C14H8O5S.Na.H/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;;/h1-7H,(H,17,18,19);;
- InChIKey
- OOYZSHREGVYLQK-UHFFFAOYSA-N
- SMILES
- O=C1C2=CC=CC=C2C(=O)C2C=CC(S(O)(=O)=O)=CC1=2.[NaH]
- LogP
- -1.6 at · -1.6 at 25℃
- EPA
- 2 · 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (131-08-8)
화학적 성질
beige powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 57.6% (110 of 191) of all reports.
Warning
H315 (42.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (42.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (41.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 191 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 110 of 191 reports by companies.;There are 5 notifications provided by 81 of 191 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: 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, 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: 13-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25785
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes abnormal liver and kidney function tests in oral lethal-dose studies of guinea pigs; Causes changes in spleen weight, blood cell counts, and nucleated red blood cells in 30-day oral studies of rats; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Sodium anthraquinone-1-sulfonate.
독성 정보
규제 정보
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, 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: 13-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25785
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB1095550
- HS 번호
- 29147090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-10638
화학 및 산업
용도 및 제조
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1): ACTIVE
상·하류 제품 정보
하류 제품
공급사50 곳
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