基本情報
- CAS
129-40-8- 標準SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc(Cl)c21- InChIKey
VOZLLWQPJJSWPR-UHFFFAOYSA-N- 分子式
- C14H6ClNO4
- 平均分子量
- 287.65 g/mol
- 単同位体質量
- 286.9985354
名称と識別子
- 優先名称
- 1-Chloro-5-nitroanthraquinone
- IUPAC
- 1-chloro-5-nitroanthracene-9,10-dione
- 現地名
- 1-クロロ-5-ニトロアントラキノン
- 英語名
- 1-chloro-5-nitroanthraquinone
- 分子式
- C14H6ClNO4
- 分子量
- 287.65
名称と別名
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]
名称をさらに表示
1-クロロ-5-ニトロアントラキノン
BRN 2142744NSC-4994DTXSID10596004-07-00-02561 (Beilstein Handbook Reference)1-NITRO-5-CHLOROANTHRAQUINONE [HSDB]1-chlor-5-nitroanthrachinon (Czech)1Chlor5nitroanthrachinonRefChem:431437
データベース識別子
- CAS
129-40-8- PubChem CID
- 8510
- DTXSID
DTXSID1059600- UNII
- ZPE5W4ED20
- EC Number
- 204-944-6
- Nikkaji
- J53.429C
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 80 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 461
実験および物理化学的性質
Chemical ClassesDyes -> Anthraquinone Dyes
DecompositionWhen heated to decomp it emits very tox fumes of /hydrogen chloride and nitrogen oxides/.
物理化学的性質
- 融点
- 314 °C · 314°C
- 比重(密度)
- 1.3961 · 1.3961 (rough estimate)
- 屈折率
- 1.693 · 1.6930 (estimate)
- EPAの化学物質情報
- 9 · 9,10-Anthracenedione, 1-chloro-5-nitro- (129-40-8)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
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]
安全と保護具
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.
毒性情報
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/
安全データ
- tsca
- TSCA listed
- 有毒物質データの
- 129-40-8(Hazardous Substances Data)
化学と産業
薬理情報
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/
用途と製造
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
サプライヤー13 社
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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]
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陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
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