クロロヒドロキノン

Chlorohydroquinone

HCID 301CAS 615-67-8
部分構造検索類似構造を探す

基本情報

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

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

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)
屈折率
1.462 · 1.4620 (estimate)
闪点
263 °C · 263°C
貯蔵温度
Inert atmosphere,Room Temperature

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.

安全と法規制

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/

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

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

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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.

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