1,4-シクロヘキサンジオン

1,4-Cyclohexanedione

HCID 12511

基本情報

CAS
637-88-7
標準SMILES
O=C1CCC(=O)CC1
InChIKey
DCZFGQYXRKMVFG-UHFFFAOYSA-N
分子式
C6H8O2
平均分子量
112.13 g/mol
単同位体質量
112.0524295

概要

Cyclohexane-1,4-dione is a cyclohexanedione with oxo substituents at positions 1 and 4.

名称と識別子

優先名称
1,4-Cyclohexanedione
IUPAC
cyclohexane-1,4-dione
現地名
1,4-シクロヘキサンジオン
英語名
1,4-Cyclohexanedione
分子式
C6H8O2
分子量
112.13

名称と別名

1,4-Cyclohexanedione637-88-7Cyclohexane-1,4-dioneTETRAHYDROQUINONE1,4-DioxocyclohexaneBJS27Z99AMNSC-7192DTXSID6060929CHEBI:28286RefChem:73177DTXCID5044071211-306-0
名称をさらに表示
1,4-シクロヘキサンジオンシクロヘキサン-1,4-ジオン1,4-シクロヘキサジオン1,4シクロヘキサンジオン1,4‐シクロヘキサンジオン1,4-シクロヘキサンジオン, 98%CHDCYCLOHEXANEDIONE1,4-Cyclohexadione1,4-CYCHEXANEDIONE1,4-cyclohexanedion
1,4-CyclohexandioneMFCD00001606Cyclohexan-1,4-dione1,4-Dioxocyclohexane; NSC 7192; Tetrahydroquinone;1,4-Cyclohexanedione-2,2,3,3,5,5,6,6-d8NSC 7192EINECS 211-306-01,4 cyclohexane dione

データベース識別子

CAS
637-88-7
PubChem CID
12511
DTXSID
DTXSID6060929
ChEBI
CHEBI:28286
UNII
BJS27Z99AM
EC Number
211-306-0
Nikkaji
J23.544J

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
8

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesBoiling point
Physical DescriptionYellow crystalline solid; [Aldrich MSDS]

物理化学的性質

融点
77 · 77-78.5 °C (lit.)
沸点
112 °C · 112 °C (19.5026 mmHg)
比重(密度)
1.0861 · 1.0861
屈折率
1.457 · 1.4570 (estimate)
闪点
132 °C · 132 °C
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性tan or yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 71.4% (5 of 7) of all reports.

Warning

H315 (28.6%): 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1,4-Cyclohexanedione

1,4-Cyclohexanedione: 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 SummaryMay cause irritation; [Aldrich MSDS] See Cyclohexanone.
Hazard Classes and CategoriesSkin Irrit. 2 (28.6%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

F
8
wgk
3
tsca
TSCA listed
hs_code
29142900
化審法
(3)-3893
hazard_code
Xi

化学と産業

用途と製造

General Manufacturing Information1,4-Cyclohexanedione: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用1,4-Cyclohexanedione is used in the preparation of 1,4 benzoquinone and bromoorganics. It is also used to study the influence of visible light on the bromate-1,4-cyclohexanedione-ferroin oscillating reaction. It plays a vital role in pharmaceuticals, plant growth regulator and as a conducting material.

一般的な説明1,4-Cyclohexanedione(CHD) undergoes uncatalyzed oscillatory reactions during oxidation by acidic bromate in nitric acid and sulphuric acid solution. It reacts with acidic bromate to form 1,4-dihydroxybenzene which on further oxidation and bromination yields 1,4-benzoquinone and bromoorganics.

調製方法 · 1 件

製造方法Synthesis of 1,4-cyclohexanedione: put diethyl succinylsuccinate into a flask, add a mixture of concentrated sulfuric acid, water and ethanol, reflux in oil solution for 5 days, cool, and neutralize to pH with ammonia water = 8; then extract 4 times with chloroform, and recover the chloroform to obtain the crude product; then the crude product is subjected to vacuum distillation, and the distillate is poured into cold petroleum ether, filtered, and air-dried to obtain 1,4-cyclohexanedi Ketone Products.

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

補足説明

定義ChEBI: 1,4-Cyclohexanedione is a cyclohexanedione with oxo substituents at positions 1 and 4.

関連反応

53 件

化合物ノート

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