기본 정보
- CAS
117-11-3- 표준 SMILES
Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O- InChIKey
QIHMGEKACAOTPE-UHFFFAOYSA-N- 분자식
- C14H8ClNO2
- 평균 분자량
- 257.67 g/mol
- 단동위원소 질량
- 257.0243562
이름 및 식별자
- 우선 이름
- 1-Amino-5-chloroanthraquinone
- IUPAC
- 1-amino-5-chloroanthracene-9,10-dione
- 현지명
- 1-아미노-5-클로로안트라퀴논
- 영어명
- 1-Amino-5-chloroanthraquinone
- 분자식
- C14H8ClNO2
- 분자량
- 257.67
이름 및 동의어
1-AMINO-5-CHLOROANTHRAQUINONE9,10-Anthracenedione, 1-amino-5-chloro-1-Chlor-5-aminoanthrachinonUNII-8Y5D22IE4SHSDB 2579NSC 4996EINECS 204-174-01-Chlor-5-aminoanthrachinon [Czech]5-amino-1-chloroanthraquinoneBRN 2215893AI3-16447NSC-4996
이름 더 보기
1-아미노-5-클로로안트라퀴논1-amino-5-chloroanthracene-9,10-dione1-amino-5-chloro-anthraquinon5-Chloro-1-aminoanthraquinone1-CHLORO-5-AMINOANTHRAQUINONEAnthraquinone, 1-amino-5-chloro-1-Amino-5-chloroanthra-9,10-quinone1-amino-5-chloro-10-anthracenedione
5-Chloro-1-anthraquinonylamineDTXSID60594474-14-00-00441 (Beilstein Handbook Reference)1Chlor5aminoanthrachinonRefChem:748851Chloro5aminoanthraquinone5Chloro1aminoanthraquinoneAnthraquinone, 1amino5chloro
데이터베이스 식별자
- CAS
117-11-3- PubChem CID
- 8327
- DTXSID
DTXSID6059447- UNII
- 8Y5D22IE4S
- EC Number
- 204-174-0
- Nikkaji
- J53.416A
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 60.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 384
실험 및 물리화학적 성질
Chemical ClassesDyes -> Anthraquinone Dyes
Physical DescriptionPowder; [MSDSonline]
물리화학적 성질
- 녹는점
- 204 · 204-210℃
- 끓는 점
- 500.9 · 500.9±50.0 °C(Predicted)
- 밀도
- 1.2625 · 1.2625 (rough estimate)
- 굴절률
- 1.527 · 1.5270 (estimate)
- 산도 계수 (pKa)
- -1.48 · -1.48±0.20(Predicted)
- NIST
- 1 · 1-Amino-5-chloroanthraquinone(117-11-3)
- EPA
- 9 · 9,10-Anthracenedione, 1-amino-5-chloro- (117-11-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazards Summary
Emergency 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] Mice tolerate anthraquinone oral doses of 5000 mg/kg without apparent adverse effects; [HSDB] An irritant; [MSDSonline]
Hazard Classes and CategoriesEye Irrit. 2 (100%)
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/
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 vat dyes; [HSDB]
CHEMICAL INTERMEDIATE FOR VAT DYES
U.S. Imports
(1972) 4.37X10+6 GRAMS (PRINCPL CUSTMS DISTS)
(1974) 3.87X10+6 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
(1972) 1.63X10+7 GRAMS
(1963) 83,000 lbs
Methods of ManufacturingPROBABLY BY REDUCTION OF 5-CHLORO-1-NITROANTHRAQUINONE (FOR EXAMPLE, WITH SODIUM SULFIDE)
General Manufacturing Information9,10-Anthracenedione, 1-amino-5-chloro-: INACTIVE
공급사31 곳
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Nantong Honglong Chemical Co., Ltd+86-86-13078814179 +8619052560825 · [email protected]
阿法埃莎（中国）化学有限公司
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