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Chlorhydrochinon

Chlorohydroquinone

HCID 301
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Grundinformationen

CAS
615-67-8
Standard-SMILES
Oc1ccc(O)c(Cl)c1
InChIKey
AJPXTSMULZANCB-UHFFFAOYSA-N
Summenformel
C6H5ClO2
Durchschnittliche Molmasse
144,55 g/mol
Monoisotopische Masse
143,99780708

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
Chlorohydroquinone
IUPAC
2-chlorobenzene-1,4-diol
Lokaler Name
Chlorhydrochinon
Englischer Name
Chlorohydroquinone
Summenformel
C6H5ClO2
Molmasse
144.56

Namen und Synonyme

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
Weitere Namen anzeigen
chlorhydrochinonCHLOROHYDROCHINONchloro-hydroquinon2-Chlorohydroquininechloro-p-hydroquinoneChlorohydroquinone,99%
2-Chloro-1,4-hydroxyquinone1,4-Dihydroxyl-2-chlorobenzeneNSC-42793SNN9E3372-CHLORO-1,4-HYDROQUINONENSC-5934DTXSID4060656CHEBI:27675

Datenbank-Bezeichner

CAS
615-67-8
PubChem CID
301
DTXSID
DTXSID4060656
ChEBI
CHEBI:27675
UNII

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9
Formalladung
0
Komplexität
97,1

Experimentelle und physikochemische Eigenschaften

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

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]

Physikochemische Eigenschaften

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

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.

Toxikologische Informationen

Chemie und Industrie

Pharmakologische Informationen

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

Verwendung und Herstellung

Uses · 3 Einträge

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 Einträge

EDWAL LIQUID CHQ- CHLOROHYDROQUINONE, 10% SOLN.

GRADES: PHOTOGRAPHIC; COMMERCIAL.

General Manufacturing Information1,4-Benzenediol, 2-chloro-: INACTIVE
Anwendungen · 1 Eintrag

VerwendenChlorohydroquinone 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.

Darstellung

synthetischeChlorohydroquinone 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.

Vor- und nachgelagerte Produkte

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93SNN9E337
EC Number
210-442-8
Nikkaji
J86.748I
Schmelzpunkt
100 · 100-104 °C (lit.)
Siedepunkt
263 °C · 263 °C (lit.)
Dichte
1.2558 · 1.2558 (rough estimate)
Brechungsindex
1.462 · 1.4620 (estimate)
Flammpunkt
263 °C · 263°C
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
pka
9.21 · 9.21±0.18(Predicted)
Aggregatzustand
Fine Crystalline Powder
Farbe
Light brown to gray
Wasserlöslichkeit
soluble
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 Datenbank
615 · 615-67-8(CAS DataBase Reference)
NIST chemische Informationen
1 · 1,4-Benzenediol, 2-chloro-(615-67-8)
EPA chemische Informationen
Chlorohydroquinone (615-67-8)
Human Toxicity Excerpts · 5 Einträge

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 Einträge

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

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

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN2811
hs_code
29081990
RTECS-Nr.
MX4800000
risk_code
21-36/37/38-43
Toxizität
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.
hazard_code
Xn,Xi
safety_code
36/37-37/39-26
hazard_class
6.1
packing_group
III
Speicherklasse
11 - Combustible Solids
Giftige Stoffe Daten
615-67-8(Hazardous Substances Data)
Hazard Classifications
Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Vorgelagerte Rohstoffe

p-Benzochinon

Nachgelagerte Produkte

1,4-Benzenediol, 2,3-dichloro- (9CI)2-Chlor-1,4-naphthochinon2-Chloro-1,4-benzoquinonetrans-1,4-Cyclohexanediol2,5-Dimethoxy-4-chloroaniline

Ergänzende Hinweise

DefinitionChEBI: 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.