기본 정보
- CAS
129-40-8- 표준 SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc(Cl)c21- InChIKey
VOZLLWQPJJSWPR-UHFFFAOYSA-N- 분자식
- C14H6ClNO4
- 평균 분자량
- 287.65 g/mol
- 단동위원소 질량
- 286.9985354
이름 및 식별자
- 우선 이름
- 1-Chloro-5-nitroanthraquinone
- IUPAC
- 1-chloro-5-nitroanthracene-9,10-dione
- 현지명
- 1-클로로-5-니트로안트라퀴논
- 영어명
- 1-chloro-5-nitroanthraquinone
- 분자식
- C14H6ClNO4
- 분자량
- 287.65
이름 및 동의어
1-CHLORO-5-NITROANTHRAQUINONE129-40-85-Chloro-1-nitroanthraquinone1-Chlor-5-nitroanthrachinonAnthraquinone, 1-chloro-5-nitro-1-Nitro-5-chloroanthraquinone9,10-Anthracenedione, 1-chloro-5-nitro-HSDB 2583NSC 4994EINECS 204-944-6ZPE5W4ED201-Chlor-5-nitroanthrachinon [Czech]
이름 더 보기
1-클로로-5-니트로안트라퀴논
BRN 2142744NSC-4994DTXSID10596004-07-00-02561 (Beilstein Handbook Reference)1-NITRO-5-CHLOROANTHRAQUINONE [HSDB]1-chlor-5-nitroanthrachinon (Czech)1Chlor5nitroanthrachinonRefChem:431437
데이터베이스 식별자
- CAS
129-40-8- PubChem CID
- 8510
- DTXSID
DTXSID1059600- UNII
- ZPE5W4ED20
- EC Number
- 204-944-6
- Nikkaji
- J53.429C
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 80 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 461
실험 및 물리화학적 성질
Chemical ClassesDyes -> Anthraquinone Dyes
DecompositionWhen heated to decomp it emits very tox fumes of /hydrogen chloride and nitrogen oxides/.
물리화학적 성질
- 녹는점
- 314 °C · 314°C
- 밀도
- 1.3961 · 1.3961 (rough estimate)
- 굴절률
- 1.693 · 1.6930 (estimate)
- EPA
- 9 · 9,10-Anthracenedione, 1-chloro-5-nitro- (129-40-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Hazards SummaryEmergency treatment: Anthraquinones; Anthraquinones have cathartic action after ingestion, and in severe cases, may cause kidney damage, liver enzyme elevation, GI hemorrhage, seizures, and coma; [HSDB] Mild irritant in rabbit eye; [RTECS]
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
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Human Toxicity Excerpts
CAUTION: LOW SYSTEMIC TOXICITY, BUT MAY CAUSE SKIN IRRITATION, SENSITIZATION. /ANTHRAQUINONE/
Chronic neurotoxic effects include vision disturbances. /From table; Quinones/
Non-Human Toxicity Excerpts
...MICE BEING UNHARMED BY SINGLE ORAL DOSES OF 5,000 MG/KG. /ANTHRAQUINONE/
ANTHRAQUINONE...HAS BEEN NOTED ONLY IN EXPTL ANIMAL EYES TO CAUSE IRRITATION & INFLAMMATION WHEN APPLIED TO THE EYE. ...IT IS POSSIBLE THAT IRRITATION IS DUE TO MECHANIC ACTION OF POWDER RATHER THAN TO TOXIC EFFECT... /ANTHRAQUINONE/
Acute neurotoxic effects reported in animals include convulsions; medullary paralysis. /From table; Quinones/
안전 데이터
- tsca
- TSCA listed
- 유해 물질 데이터
- 129-40-8(Hazardous Substances Data)
화학 및 산업
약리 정보
Metabolism/MetabolitesQuinones (ie, 6,12-dione) have been shown to undergo oxidation-reduction cycles involving quinone, hydroquinone, and molecular oxygen, resulting in the formation of oxygen radicals and semiquinone radicals. /Quinones/
용도 및 제조
Uses
Used as a chemical intermediate for anthraquinone dyes and 1-amino-5-chloroanthraquinone; [HSDB]
CHEM INT FOR ANTHRAQUINONE DYES & FOR 1-AMINO-5-CHLOROANTHRAQUINONE
U.S. Production(1972) 1.81X10+7 GRAMS
Methods of ManufacturingPOSSIBLY BY REACTION OF 1-NITRO-5-ANTHRAQUINONESULFONIC ACID WITH O-DICHLOROBENZENE & SODIUM PERCHLORITE
General Manufacturing Information9,10-Anthracenedione, 1-chloro-5-nitro-: INACTIVE
공급사13 곳
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Nantong Honglong Chemical Co., Ltd+86-86-13078814179 +8619052560825 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北楚盛威化工有限公司87891008 18971625309 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
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