기본 정보
- CAS
128-56-3- 표준 SMILES
O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[O-].[Na+]- InChIKey
SDKPSXWGRWWLKR-UHFFFAOYSA-M- 분자식
- C14H7NaO5S
- 평균 분자량
- 310.26 g/mol
- 단동위원소 질량
- 309.9911886
이름 및 식별자
- 우선 이름
- Sodium anthraquinone-1-sulfonate
- IUPAC
- sodium 9,10-dioxoanthracene-1-sulfonate
- 영어명
- 1-Anthraquinonesulfonic acid sodium salt
- 분자식
- C14H9NaO5S
- 분자량
- 312.27
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
128-56-3- PubChem CID
- 517266
- DTXSID
DTXSID50883320- UNII
- F8Q2GUT8LB
- EC Number
- 204-894-5
- Nikkaji
- J79.453H
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
물리화학적 성질
- 저장 조건
- Store at room temperature
- 물리적 상태
- powder to crystal
- 색상
- Light orange to Yellow to Green
- 수용성
- 적당히 용해됨
- InChI
- InChI=1S/C14H8O5S.Na.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;;/h1-7H,(H,17,18,19);;
- InChIKey
- QEVFVAYERYFCBR-UHFFFAOYSA-N
- SMILES
- S(C1=CC=CC2C(C3=CC=CC=C3C(=O)C1=2)=O)(O)(=O)=O.[NaH]
- EPA
- -1 · Sodium anthraquinone-1-sulfonate (128-56-3)
화학적 성질
cream to yellow moist paste
안전 및 규제
유해성 정보
Hazards Summary
Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and coma; Deaths have been reported after children ingested Rhamnus berries; [HSDB] Oral LD50 (rat) = 20,000 mg/kg; Effects include altered kidney and liver function tests; [ChemIDplus] An irritant; [MSDSonline]
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
독성 정보
안전 데이터
- tsca
- TSCA listed
- rtecs
- CB1095540
- 독성
- guinea pig,LD50,oral,32gm/kg (32000mg/kg),LIVER: LIVER FUNCTION TESTS IMPAIREDKIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980.
- HS 번호
- 29143990
- safety_code
- 24/25
- 유해 물질 데이터
- 128-56-3(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
Uses
Anthraquinonesulfonic acids have commercial value because the sulfonic acid group can be replaced by many nucleophiles; [HSDB]
Anthraquinonesulfonic acids are commercially important ... major value is due to the relatively easy replacement of the sulfonic acid group by many nucleophiles affording economically valuable intermediates which are difficult to obtain by other methods. /Anthraquinonesulfonic acids/
Methods of Manufacturing
K salt, also called diamant salt, is prepared by sulfonation in the presence of, eg, 0.5% mercury in 20% oleum, an amount of SO3 adequate for the sulfonation of about 60% of the charge. The reaction is controlled in such a manner that about 50% of the anthraquinone remains unsulfonated. After mercury is precipitated as the sulfide, the unreacted anthraquinone is precipitated by dilution and is collected by filtration. After washing and drying, it is recirculated as "reclaimed quinone". Mercury is removed completely from the filtrate, and the anthraquinone-1-sulfonic acid is then precipitated as the potassium salt. /Anthraquinone-1-sulfonic acid, potassium salt/
Sodium salt, also called silver salt, is prepared by sulfonation of anthraquinone in the absence of mercury. The acid also can be obtained from the 1,6- (or 1,7-) disulfonic acid by desulfonation at the alpha position in dilute sulfuric acid. /Anthraquinone-2-sulfonic acid, sodium salt/
응용 분야
용도Sodium Anthraquinone-1-sulfonate (cas# 128-56-3) is a compound useful in organic synthesis.
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