홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

클로로하이드로퀴논

Chlorohydroquinone

HCID 301
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
615-67-8
표준 SMILES
Oc1ccc(O)c(Cl)c1
InChIKey
AJPXTSMULZANCB-UHFFFAOYSA-N
분자식
C6H5ClO2
평균 분자량
144.55 g/mol
단동위원소 질량
143.99780708

개요

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.

이름 및 식별자

우선 이름
Chlorohydroquinone
IUPAC
2-chlorobenzene-1,4-diol
현지명
클로로하이드로퀴논
영어명
Chlorohydroquinone
분자식
C6H5ClO2
분자량
144.56

이름 및 동의어

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
이름 더 보기
클로로하이드로퀴논chlorhydrochinonCHLOROHYDROCHINONchloro-hydroquinon2-Chlorohydroquininechloro-p-hydroquinoneChlorohydroquinone,99%
2-Chloro-1,4-hydroxyquinone1,4-Dihydroxyl-2-chlorobenzeneNSC-42793SNN9E3372-CHLORO-1,4-HYDROQUINONENSC-5934DTXSID4060656CHEBI:27675

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.4
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9
형식 전하
0
복잡도
97.1

실험 및 물리화학적 성질

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

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]

물리화학적 성질

녹는점
100 · 100-104 °C (lit.)
끓는 점
263 °C · 263 °C (lit.)
밀도
1.2558 · 1.2558 (rough estimate)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 및 보호

Disposal Methods · 1건

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.

독성 정보

Human Toxicity Excerpts · 5건

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/

화학 및 산업

약리 정보

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

용도 및 제조

Uses · 3건

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 · 2건

EDWAL LIQUID CHQ- CHLOROHYDROQUINONE, 10% SOLN.

GRADES: PHOTOGRAPHIC; COMMERCIAL.

General Manufacturing Information1,4-Benzenediol, 2-chloro-: INACTIVE
응용 분야 · 1건

용도Chlorohydroquinone 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.

제조 방법

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.

상·하류 제품 정보

상류 원료

퀴논

관련 반응

10건
반응 기록 만들기
HRID 49689 반응식
HRID 49689반응물로uspto-grants-2004_03
HRID 222346 반응식
HRID 222346반응물로uspto-grants-2012_06
HRID 225829 반응식
HRID 225829반응물로uspto-grants-2009_07
HRID 570813 반응식
HRID 570813반응물로uspto-grants-2015_05
HRID 727975 반응식
HRID 727975반응물로uspto-grants-1991_09
HRID 1053876 반응식
HRID 1053876반응물로uspto-grants-2016_07
HRID 1071834 반응식
HRID 1071834반응물로uspto-grants-2005_06
HRID 1369971 반응식
HRID 1369971반응물로uspto-grants-2003_06
1 / 2 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
굴절률
1.462 · 1.4620 (estimate)
인화점
263 °C · 263°C
저장 조건
Inert atmosphere,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
9.21 · 9.21±0.18(Predicted)
물리적 상태
미세 결정성 분말
색상
밝은 갈색에서 회색까지
수용성
녹는
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
NIST
1 · 1,4-Benzenediol, 2-chloro-(615-67-8)
EPA
Chlorohydroquinone (615-67-8)

화학적 성질

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 · 2건

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

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
MX4800000
ridadr
UN2811
독성
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 번호
29081990
risk_code
21-36/37/38-43
hazard_code
Xn,Xi
safety_code
36/37-37/39-26
포장분류
III
위험 등급
6.1
Hazard Classifications
Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
615-67-8(Hazardous Substances Data)

하류 제품

1,4-Benzenediol, 2,3-dichloro- (9CI)2-Chloro-1,4-naphthoquinone2-클로로-1,4-벤조퀴논트랜스-1,4-사이클로헥사디올2,5-Dimethoxy-4-chloroaniline

추가 설명

정의ChEBI: 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.