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2,7-ジニトロ-9-フルオレノン

2,7-Dinitro-9-fluorenone

HCID 35842
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
部分構造検索類似構造を探す

基本情報

CAS
31551-45-8
標準SMILES
O=C1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21
InChIKey
HDVGAFBXTXDYIB-UHFFFAOYSA-N
分子式
C13H6N2O5
平均分子量
270.2 g/mol
単同位体質量
270.0276713

概要

2,7-dinitro-9h-fluoren-9-one is a light green solid. Used a photo conducting material. (NTP, 1992)

名称と識別子

優先名称
2,7-Dinitro-9-fluorenone
IUPAC
2,7-dinitrofluoren-9-one
現地名
2,7-ジニトロ-9-フルオレノン
英語名
2,7-Dinitro-9-fluorenone
分子式
C13H6N2O5
分子量
270.2

名称と別名

2,7-Dinitro-9-fluorenone31551-45-82,7-DINITRO-9H-FLUOREN-9-ONE2,7-Dinitrofluorenone9H-Fluoren-9-one, 2,7-dinitro-Fluoren-9-one, 2,7-dinitro-9-Oxo-2,7-dinitrofluoreneR33RLL32YXNSC-86561DTXSID4025163RefChem:83440DTXCID705163
名称をさらに表示
2,7-ジニトロ-9-フルオレノン2,7-ジニトロ-9H-フルオレン-9-オン2,7-ジニトロフルオレノン2,7-ジニトロ-9-オキソ-9H-フルオレン2,7-ジニトロ-9-フルオレノン標準品2,7‐ジニトロ‐9‐フルオレノン標準品2,7-Dinitro-9-oxo-9H-fluoreneDINITROFLUORENELABOTEST-BB LT001123172,7-Dinitro-9-fluorone2,7-dinitro-9-fluorenon2,7-Dinitro-5-fluorenone2,7-DINTIRO-FLUOREN-9-ONE
250-695-12,7-Dinitrofluoren-9-oneMFCD000011539-Fluorenone, 2,7-dinitro-CHEMBL424175CCRIS 2911EINECS 250-695-1NSC 86561

データベース識別子

CAS

物性

構造計算による物性

XLogP
2.8
極性表面積
109 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
0
重原子数
20
形式電荷
0
複雑度
415

実験および物理化学的性質

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesDensity
LogP2.84
Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Melting Point554 to 563 °F (NTP, 1992)
Vapor Pressure0.00000001 [mmHg]
Physical Description · 2 件

2,7-dinitro-9h-fluoren-9-one is a light green solid. Used a photo conducting material. (NTP, 1992)

Light green solid; [CAMEO] Yellow to brown crystalline powder; [Acros Organics MSDS]

物理化学的性質

融点
292 · 292-295 °C (lit.)
沸点
413.31 °C · 413.31°C (rough estimate)
比重(密度)
1.4118 · 1.4118 (rough estimate)
屈折率
1.53 · 1.5300 (estimate)
溶解性
25 mg/mL、透明 · DMF:可溶25mg/mL、透明(黄色~黄緑色)

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 1 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 are not available for this chemical, but it is probably combustible. (NTP, 1992)
Hazards SummaryAn irritant; [Acros Organics MSDS] See 1-Nitropyrene
Reactive GroupKetones
Reactivity Profile · 1 件

A nitrated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

化学と産業

用途と製造

UsesUsed as a photo-conductor; [CAMEO]
General Manufacturing Information9H-Fluoren-9-one, 2,7-dinitro-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用2,7-Dinitro-9-fluorenone was used to develop sensor for determination of submicromolar concentrations of selected genotoxic nitro compounds using mercury meniscus modified silver solid amalgam electrode coupled with direct current voltammetry or differential pulse voltammetry. It was used to study mechanism of generation of spontaneous and mutation-induced deletion revertants of hisG428 in Salmonella tester strain TA102 .

一般的な説明Light green solid. Used a photo conducting material.

サプライヤー85 社

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関連反応

1 件
反応記録を作成
HRID 1241223 の反応式
HRID 1241223反応物としてuspto-grants-2006_10

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
31551-45-8
PubChem CID
35842
DTXSID
DTXSID4025163
ChEMBL
CHEMBL424175
UNII
R33RLL32YX
EC Number
250-695-1
Nikkaji
J127.544E
外見
粉
色
黄色からオレンジ
CAS データベース
31551 · 31551-45-8(CAS DataBase Reference)
NISTの化学物質情報
9 H-fluoren-9-one, · 9H-fluoren-9-one, 2,7-dinitro-(31551-45-8)
EPAの化学物質情報
2 · 2,7-Dinitro-9-fluorenone (31551-45-8)

化学的性質

化学的特性yellow to brown crystalline powder

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 methanol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with methanol to pick up any remaining material. Your contaminated clothing and the absorbent paper should be sealed in a vapor tight plastic bag for eventual disposal. Solvent-wash contaminated surfaces with methanol followed by washing with a strong 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.

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)

安全データ

wgk
3
tsca
TSCA listed
rtecs
LL9051000
hs_code
29147000
risk_code
36/37/38
消防法
危-5-NC-1-I
hazard_code
Xi
safety_code
24/25-36/37-26
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