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4-アセチルアミノ-9H-フルオレン

4-Acetylaminofluorene

HCID 34210
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
28322-02-3
標準SMILES
CC(=O)Nc1cccc2c1-c1ccccc1C2
InChIKey
PHPWISAFHNEMSR-UHFFFAOYSA-N
分子式
C15H13NO
平均分子量
223.27 g/mol
単同位体質量
223.09971404

概要

N-(4-fluorenyl)acetamide is a light beige powder. (NTP, 1992)

名称と識別子

優先名称
4-Acetylaminofluorene
IUPAC
N-(9H-fluoren-4-yl)acetamide
現地名
4-アセチルアミノ-9H-フルオレン
英語名
4-Acetamidofluorene
分子式
C15H13NO
分子量
223.27

名称と別名

4-ACETYLAMINOFLUORENE28322-02-34-Fluorenylacetamide4-AcetylaminofluorenN-Fluoren-4-ylacetamideAcetamide, N-fluoren-4-yl-N-4-FluorenylacetamideAcetamide, N-9H-fluoren-4-yl-4-AAFAcetamide, N-fluoren-4-ylAcetamide, N-9H-fluoren-4-ylU41BO8XU2Z
名称をさらに表示
N-(9H-フルオレン-4-イル)アセトアミド4-アセチルアミノ-9H-フルオレン4-(アセチルアミノ)-9H-フルオレン4-フルオレニルアセトアミドN-4-FluorenylN-4-ACETYLAMINOFLUORENEn-fluoren-4-yl-acetamid
DTXSID1020019NSC-9866CHEBI:76343RefChem:97636DTXCID9019248-964-34-AcetamidofluoreneN-(9H-Fluoren-4-yl)acetamide

データベース識別子

CAS
28322-02-3
PubChem CID
34210
DTXSID
DTXSID1020019
ChEMBL
CHEMBL2311070
ChEBI
CHEBI:76343
UNII
U41BO8XU2Z
EC Number
248-964-3

物性

構造計算による物性

XLogP
2.7
極性表面積
29.1 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
1
重原子数
17
形式電荷
0
複雑度
301

実験および物理化学的性質

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
DecompositionWhen heated to decomp it emits NO(x).
Melting Point390 to 392 °F (NTP, 1992)
Physical Description · 2 件

N-(4-fluorenyl)acetamide is a light beige powder. (NTP, 1992)

Light beige solid; [CAMEO]

物理化学的性質

融点
198 · 198-200°C
沸点
364.56 °C · 364.56°C (rough estimate)
比重(密度)
1.0707 · 1.0707 (rough estimate)
屈折率
1.55 · 1.5500 (estimate)
酸解離定数(Pka)
14.87 · 14.87±0.20(Predicted)
EPAの化学物質情報
4 · 4-Acetylaminofluorene (28322-02-3)

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。

GHS分類

GHS Classification · 4 件

Warning

H315 (90.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of NOx. (NTP, 1992)
Hazards SummaryAn irritant; [MSDSonline] See 2-Acetylaminofluorene.
Reactive GroupAmides and Imides
Reactivity Profile · 1 件

An amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsInsoluble in water.
Toxic Combustion ProductsWhen heated to decomp it emits toxic fumes of NO(x).

化学と産業

薬理情報

MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

用途と製造

Uses · 2 件

Used as a research chemical; Not commercially produced in the US; [HSDB]

RESEARCH CHEMICAL

U.S. Production(1977) NOT PRODUCED COMMERCIALLY IN USA

応用分野

一般的な説明Light beige powder.

サプライヤー16 社

郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [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]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
苏州启航生物科技有限公司18151111370

関連反応

0 件
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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
Nikkaji
J3.484C
Hazard Classes and Categories
Skin Irrit. 2 (90.5%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 件

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.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Non-Human Toxicity Excerpts · 4 件

4-ACETYLAMINOFLUORENE, ... WHEN FED TO MALE RATS (0.05% OF DIET), CAUSED PROLIFERATION OF AGRANULAR ENDOPLASMIC RETICULUM & GLYCOGEN DEPLETION IN HEPATOCYTES. NO OTHER CHANGES WERE OBSERVED AFTER 3-4 WK OF TREATMENT, APART FROM MINOR DEGREE OF INTRACELLULAR LIPID ACCUM. THESE EFFECTS PRODUCED BY 4-ACETYLAMINOFLUORENE WERE MARKEDLY DIFFERENT FROM THAT PRODUCED BY THE CARCINOGENIC ISOMER.

4-ACETYLAMINOFLUORENE FED TO MALE LEEDS RATS AT CONCN OF 0.05% OF DIET FOR UP TO 10 MO PRODUCED CONSPICUOUS MORPHOLOGICAL ALTERATIONS IN PANCREATIC GRANULAR ENDOPLASMIC RETICULUM TOGETHER WITH MITOCHONDRIAL DAMAGE & FOCAL CYTOPLASMIC DEGRADATION.

A DIET CONTAINING 0.05% 4-ACETYLAMINOFLUORENE (4-AAF) WAS FED TO MALE LEEDS RATS FOR PERIODS UP TO 10 MO. SOME ANIMALS WERE KILLED AFTER 12 WKS, 6 MO & 8-10 MO OF FEEDING, WHILE FURTHER GROUPS WERE RETURNED TO A NORMAL DIET AFTER 10 MO OF TREATMENT & THEN KILLED 2, 5, 9, & 12 MO LATER. THE MAIN FINE STRUCTURAL CHANGES INDUCED WERE PROMINENT HYPERTROPHY OF AGRANULAR ENDOPLASMIC RETICULUM, GLYCOGEN DEPLETION & LIPID ACCUM. THESE CHANGES PERSISTED FOLLOWING WITHDRAWAL OF DIETARY 4-ACETYLAMINOFLUORENE FOR THE DURATION OF THE EXPERIMENT.

A SHORT TERM MAMMALIAN CARCINOGENICITY TEST SYSTEM IS PRESENTED IN WHICH AN IN VIVO APPLICATION IN RATS IS FOLLOWED AFTER 2 WEEKS BY AN IN VITRO CULTURE OF THE PERITONEAL CELLS. 2-ACETYLAMINOFLUORENE PROVED POSITIVE & 4-ACETYLAMINOFLUORENE WAS NEGATIVE. BOTH ANALOGS WERE APPLIED AT A SINGLE ORAL DOSE OF 50 MG/KG. 2-ACETYLAMINOFLUORENE WAS ALSO POSITIVE AT A DOSE OF 25 MG/KG CORRESPONDING TO 2.5% OF THE HIGHEST TOLERATED DOSE OF THIS CARCINOGEN. A HIGH STRUCTURE-RELATED SPECIFICITY OF TEST SYSTEM IS SUGGESTED.

安全データ

ridadr
2811
毒性
TD orl-rat: 5240 mg/kg/57W-C:ETA,REP JNCIAM 24,149,60
risk_code
23/24/25-46
safety_code
3/7-9-22-36/37/39-45
有毒物質データの
28322-02-3(Hazardous Substances Data)
上海遐瑞医药科技有限公司+86 21 61551611
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]

補足説明

定義ChEBI: A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is replaced by a 9H-fluoren-4-yl group.