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クロロヒドロキノン

Chlorohydroquinone

HCID 301
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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
615-67-8
標準SMILES
Oc1ccc(O)c(Cl)c1
InChIKey
AJPXTSMULZANCB-UHFFFAOYSA-N
分子式
C6H5ClO2
平均分子量
144.55 g/mol
単同位体質量
143.99780708

概要

Chlorohydroquinone is a benzenediol that consists of hydroquinone bearing a single chloro substituent. It has a role as a metabolite. It is a member of chlorohydroquinones and a member of monochlorobenzenes.

名称と識別子

優先名称
Chlorohydroquinone
IUPAC
2-chlorobenzene-1,4-diol
現地名
クロロヒドロキノン
英語名
Chlorohydroquinone
分子式
C6H5ClO2
分子量
144.56

名称と別名

chlorohydroquinone615-67-82-chlorobenzene-1,4-diol2-ChlorohydroquinoneChloroquinolMonochlorohydroquinone2-Chloro-1,4-benzenediol1,4-Benzenediol, 2-chloro-Hydroquinone, chloro-2-Chloro-1,4-dihydroxybenzene2,5-Dihydroxychlorobenzene1,4-Dihydroxy-2-chlorobenzene
名称をさらに表示
クロロヒドロキノン2-クロロ-1,4-ジヒドロキシベンゼンモノクロロヒドロキノン2-クロロ-1,4-ベンゼンジオールモノクロロハイドロキノンクロロキノール2-クロロヒドロキノン1-クロロ-2,5-ジヒドロキシベンゼン5-クロロヒドロキノン2-クロロベンゼン-1,4-ジオール2-クロロヒドロキノン, TECH2-クロロヒドロキノン, tech. 90%chlorhydrochinonCHLOROHYDROCHINONchloro-hydroquinon2-Chlorohydroquininechloro-p-hydroquinoneChlorohydroquinone,99%
2-Chloro-1,4-hydroxyquinone1,4-Dihydroxyl-2-chlorobenzeneNSC-42793SNN9E3372-CHLORO-1,4-HYDROQUINONENSC-5934DTXSID4060656CHEBI:27675

データベース識別子

CAS
615-67-8
PubChem CID
301
DTXSID
DTXSID4060656
ChEBI
CHEBI:27675
UNII
93SNN9E337
EC Number
210-442-8
Nikkaji
J86.748I

物性

構造計算による物性

XLogP
1.4
極性表面積
40.5 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
9
形式電荷
0
複雑度
97.1

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesBoiling point
LogP · 2 件

log Kow = 1.40

1.4

Color/FormWHITE TO LIGHT-TAN FINE CRYSTALS
SolubilityVERY SOL IN WATER AND ALC, SLIGHTLY SOL IN ETHER
Boiling Point263 °C
DecompositionWhen heated to decomposition it emits toxic fumes ... .
Melting Point100 °C
Physical DescriptionWhite to light tan solid; [Hawley] Light brown powder; [MSDSonline]

物理化学的性質

融点
100 · 100-104 °C (lit.)
沸点
263 °C · 263 °C (lit.)
比重(密度)
1.2558 · 1.2558 (rough estimate)

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

Danger

H302 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
Hazards SummaryNot mutagenic in assays with Ames salmonella TA100 strain; Emergency medical treatment: see Hydroquinone-quinone; [HSDB] An irritant; [MSDSonline] See Hydroquinone.
Hazard Classes and CategoriesAcute Tox. 4 (18.4%)

安全と保護具

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.

毒性情報

Human Toxicity Excerpts · 5 件

IRRITATING BUT NOT CORROSIVE. HUMAN POISONINGS HAVE BEEN REPORTED FROM MIXTURE OF HYDROQUINONE & METOL. SYSTEMIC ACTIONS LIKE PHENOL, BUT IN ADDITION TREMORS & CONVULSIONS ARE PROMINENT, PLUS AN OCCASIONAL SEVERE HEMOLYTIC ANEMIA (SUBSEQUENT TO METHEMOGLOBINEMIA?). /HYDROQUINONE/

化学と産業

薬理情報

Metabolism/MetabolitesYIELDS 3-CHLORO-4-HYDROXYPHENYL-BETA-D-GLUCURONIDE IN RABBIT. /FROM TABLE/

用途と製造

Uses · 3 件

Used as photographic developer, organic intermediate, bactericide, and in dyestuffs; [Hawley]

Using Disinfectants or Biocides [Category: Clean]

PHOTOGRAPHIC DEVELOPER; ORGANIC INTERMEDIATE; IN DYESTUFFS; BACTERICIDE

Methods of ManufacturingChlorination of hydroquinone.
Formulations/Preparations · 2 件

EDWAL LIQUID CHQ- CHLOROHYDROQUINONE, 10% SOLN.

GRADES: PHOTOGRAPHIC; COMMERCIAL.

General Manufacturing Information1,4-Benzenediol, 2-chloro-: INACTIVE
応用分野 · 1 件

使用Chlorohydroquinone is a component of polyethers based on organotin with potential application to breast cancer treatment via growth inhibition. Also a component in the synthesis of contraceptive agents in pharmaceutical compounds. It is also used within hydroxylation and catalysis organic reactions in the synthesis of pharmacologically active phenolic compounds.

調製方法

製造方法Chlorohydroquinone is obtained by reacting p-benzoquinone with hydrochloric acid. First dissolve p-benzoquinone with chloroform and pass dry hydrogen chloride gas under cooling to obtain.

純化方法Crystallise the hydroquinone from CHCl3 or toluene. [Beilstein 6 IV 5767.]

上流・下流製品情報

関連反応

10 件
反応記録を作成
HRID 49689 の反応式
HRID 49689反応物としてuspto-grants-2004_03
HRID 222346 の反応式
HRID 222346反応物としてuspto-grants-2012_06
HRID 225829 の反応式
HRID 225829反応物としてuspto-grants-2009_07
HRID 570813 の反応式
HRID 570813反応物としてuspto-grants-2015_05
HRID 727975 の反応式
HRID 727975反応物としてuspto-grants-1991_09
HRID 1053876 の反応式
HRID 1053876反応物としてuspto-grants-2016_07
HRID 1071834 の反応式
HRID 1071834反応物としてuspto-grants-2005_06
HRID 1369971 の反応式
HRID 1369971反応物としてuspto-grants-2003_06
1 / 2 ページ

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
その他の操作
ノートを作成反応を作成見積依頼を出す
屈折率
1.462 · 1.4620 (estimate)
闪点
263 °C · 263°C
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
DMSO（微量）、メタノール（微量）
酸解離定数(Pka)
9.21 · 9.21±0.18(Predicted)
外見
微結晶性粉末
色
ライトブラウンからグレー
水溶解度
溶ける
BRN
636835 · 636835
InChI
1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKey
AJPXTSMULZANCB-UHFFFAOYSA-N
SMILES
Oc1ccc(O)c(Cl)c1
CAS データベース
615 · 615-67-8(CAS DataBase Reference)
NISTの化学物質情報
1 · 1,4-Benzenediol, 2-chloro-(615-67-8)
EPAの化学物質情報
Chlorohydroquinone (615-67-8)

化学的性質

化学的特性light brown to grey fine crystalline powder. It precipitates leafy crystals from chloroform and needle-like crystals from toluene. Freely soluble in water and alcohol, slightly soluble in ether and hot chloroform.

INGESTION OF 1 G /HYDROQUINONE/ HAS CAUSED TINNITUS, NAUSEA, VOMITING, SENSE OF SUFFOCATION, SHORTNESS OF BREATH, CYANOSIS, CONVULSIONS, DELIRIUM, COLLAPSE. DEATH HAS FOLLOWED INGESTION OF 5 G. IRRITATION OF GI TRACT OCCURS WITH ORAL INGESTION. /HYDROQUINONE/

DERMATITIS CAN RESULT FROM SKIN CONTACT. STAINING AND OPACIFICATION OF CORNEA OCCUR IN WORKERS EXPOSED FOR PROLONGED PERIODS TO CONCN OF VAPOR... /HYDROQUINONE/

NO TOXICITY DATA WERE LOCATED. /IT IS/ PRESUMABLY SIMILAR IN TOXICITY TO HYDROQUINONE.

For more Human Toxicity Excerpts (Complete) data for CHLOROHYDROQUINONE (6 total), please visit the HSDB record page.

Non-Human Toxicity Excerpts · 2 件

CHLOROHYDROQUINONE WAS NONMUTAGENIC WHEN ASSAYED WITH THE AMES SALMONELLA TA100 STRAIN.

Acute neurotoxic effects reported in animals include convulsions; medullary paralysis. /From table; Quinones/

安全データ

wgk
3
tsca
TSCA listed
rtecs
MX4800000
ridadr
UN2811
毒性
An antidiarrhea drug used extensively in Japan. It has been shown to be the cause of subacute myelooptic neuropathy, a syndrome in which stiffness of the joints is accompanied by damage to the optic nerve.
hs_code
29081990
risk_code
21-36/37/38-43
化審法
(3)-2847
hazard_code
Xn,Xi
safety_code
36/37-37/39-26
hazard_class
6.1
packing_group
III
Hazard Classifications
Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス
11 - Combustible Solids
有毒物質データの
615-67-8(Hazardous Substances Data)

上流原料

1,4-ベンゾキノン

下流製品

1,4-Benzenediol, 2,3-dichloro- (9CI)2-クロロ-1,4-ナフタレンジオン2-クロロ-2,5-シクロヘキサジエン-1,4-ジオンシクロヘキサン-1α,4β-ジオール4-クロロ-2,5-ジメトキシアニリン

補足説明

定義ChEBI: Chlorohydroquinone is a benzenediol that consists of hydroquinone bearing a single chloro substituent. It has a role as a metabolite. It is a member of monochlorobenzenes and a member of chlorohydroquinones.