1-クロロアントラキノン

1-クロロアントラキノン · 1-クロロ-9,10-アントラキノン · 1-クロロ-9,10-アントラセンジオン · １クロロアントラキノン · 1-クロロアンスラキノン · 1‐クロロアントラキノン · 1-クロロアントラセン-9,10-ジオン · クロロアントラキノン

https://huagongshe.com/ja/chemical/6709

識別子と物理属性

CAS No.	26264-07-3
分子式	C14H7ClO2
平均分子量	242.65 g/mol
単同位体質量	242.01345714 g/mol
SMILES	O=C1c2ccccc2C(=O)c2c(Cl)cccc21
InChIKey	BOCJQSFSGAZAPQ-UHFFFAOYSA-N
PubChem CID	6709
ChEMBL	CHEMBL3560876
EC No.	201-421-4
DTXSID	DTXSID7052571
現地名	1-クロロアントラキノン

化学・物理的性質

XLogP	4
極性表面積	34.1
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	17
形式電荷	0
複雑度	352
物質分類	Other Classes -> Aromatic Ketones
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Color/Form	YELLOW NEEDLES FROM TOLUENE OR ALCOHOL
溶解度	INSOL IN WATERSLIGHTLY SOL IN HOT ALCOHOLSOL IN NITROBENZENE & HOT AMYL ALCOHOLSol in ethanol, benzene, acetic acidSoluble in oxygenated solvents熱トルエンに可溶。 (ほぼ透明)
沸点	Sublimes345.65°C (rough estimate)
Decomposition	When heated to decomp it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.
融点	162 °C159-160 °C (lit.)
蒸気圧	0.00000087 [mmHg]
Physical Description	Yellow solid[HSDB] Yellow powder[MSDSonline]
Other Experimental Properties	UV: 15813 (Sadtler Research Laboratories Spectral Collection) /2-Chloroanthraquinone/
密度	1.2377 (rough estimate)
屈折率	1.5380 (estimate)
貯蔵条件	Store below +30°C.
外観・状態	粉末またはチャンク
色	薄黄色～黄色
BRN	1912752
ヘンリー定数	4.3×102 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
InChI	InChI=1S/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
InChIKey	BOCJQSFSGAZAPQ-UHFFFAOYSA-N
SMILES	C1(Cl)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1
CAS データベース	82-44-0(CAS DataBase Reference)
NISTの化学物質情報	9,10-Anthracenedione, 1-chloro-(82-44-0)
EPAの化学物質情報	1-Chloroanthraquinone (82-44-0)

化学的特性

light yellow to yellow powder or chunks

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.WarningH315 (89.4%): 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 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: 9,10-Anthracenedione, 1-chloro-9,10-Anthracenedione, 1-chloro-: 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.
有害性の概要	A skin and eye irritant[HSDB] Causes abnormal liver function test results after subcutaneous injection of experimental animals[RTECS] An irritantEffects in high-dose animal studies include impaired liver function tests[MSDSonline] See Anthraquinone.
Hazard Classes and Categories	Skin Irrit. 2 (89.4%)
Skin, Eye, and Respiratory Irritations	A skin, eye irritant.
処分方法	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.
Preventive Measures	SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

用途

使用

1-Chloroanthraquinone is an intermediate for manufacturing vat dyes such as CI Vat Brown 1.