1,3-インダンジオン

1,3-Indandione

HCID 11815
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基本情報

CAS
606-23-5
標準SMILES
O=C1CC(=O)c2ccccc21
InChIKey
UHKAJLSKXBADFT-UHFFFAOYSA-N
分子式
C9H6O2
平均分子量
146.14 g/mol
単同位体質量
146.03677943

概要

1,3-indandione is a member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. It is a member of indanones, a beta-diketone and an aromatic ketone.

名称と識別子

優先名称
1,3-Indandione
IUPAC
indene-1,3-dione
現地名
1,3-インダンジオン
英語名
1,3-Indanedione
分子式
C9H6O2
分子量
146.14

名称と別名

1,3-Indanedione1,3-INDANDIONE606-23-51H-Indene-1,3(2H)-dione1,3-DiketohydrindeneIndan-1,3-dione1,3-Indanone4DJN7YG35GNSC-6312NSC-26329J7.003CDTXSID2060547
名称をさらに表示
1,3-インダンジオン1H-インデン-1,3(2H)-ジオンインダン-1,3-ジオン1,3-ジケトヒドリンデン2H-インデン-1,3-ジオン2,3-ジヒドロ-1H-インデン-1,3-ジオンα,γ-ジケトヒドリンデン1,3-インダンジオン標準品1,3‐インダンジオンIndandione1,3-DIOXOINDANEAURORA KA-73651,3-Dioxoindan
CHEBI:78877RefChem:72848DTXCID4042838210-109-7indane-1,3-dioneindene-1,3-dioneMFCD00003779Diketohydrindene

データベース識別子

CAS
606-23-5
PubChem CID
11815
DTXSID
DTXSID2060547
ChEMBL
CHEMBL283521
ChEBI
CHEBI:78877
UNII
4DJN7YG35G
EC Number
210-109-7
Nikkaji
J7.003C

物性

構造計算による物性

XLogP
0.6
極性表面積
34.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
11

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Organic Compounds
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
SpringerMaterials PropertiesChemical shift
LogP0.61
Vapor Pressure0.00172 [mmHg]
Physical DescriptionSolid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
129 · 129-132 °C (lit.)
沸点
205.74 °C · 205.74°C (rough estimate)
比重(密度)
1 · 1,37 g/cm3
屈折率
1.5049 · 1.5049 (estimate)
貯蔵温度
30 °C · Store below +30°C.
外見
粉

化学的性質

化学的特性YELLOW TO GREEN FINE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information1H-Indene-1,3(2H)-dione: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryIntraperitoneal LDLo (mouse) = 100 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Ninhydrin. See C.I. Solvent Yellow 33 and Valone.
Hazard Classes and CategoriesAcute Tox. 4 (40%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
NK5070000
hs_code
29143900
risk_code
33-36/37/38
化審法
(4)-583

化学と産業

用途と製造

General Manufacturing Information1H-Indene-1,3(2H)-dione: ACTIVE

応用分野

使用It is used in the first stage of forensic identification of latent fingerprints. It is particularly useful for paper, and for items printed with thermal inks such as receipts.

調製方法

純化方法Recrystallise it from EtOH or *C6H6. In dilute alkali it gives a deep yellow solution of the enol. [Bernasconi & Paschalis J Am Chem Soc 108 2969 1986]. [Beilstein 7 IV 2344.]

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

補足説明

定義ChEBI: A member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups.

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