4-사이클로레조시놀

4-Chlororesorcinol

HCID 1731CAS 95-88-5
부분 구조 검색유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름
4-Chlororesorcinol
IUPAC
4-chlorobenzene-1,3-diol
현지명
4-사이클로레조시놀
영어명
4-Chlororesorcinol
분자식
C6H5ClO2
분자량
144.56

이름 및 동의어

4-Chlororesorcinol95-88-54-chlorobenzene-1,3-diol4-Chlororesorcinp-Chlororesorcinol1,3-Benzenediol, 4-chloro-2,4-Dihydroxychlorobenzene4-Chloro-1,3-dihydroxybenzene4-Chloro-1,3-benzenediol6-ChlororesorcinolResorcinol, 4-chloro-1,3-Dihydroxy-4-chlorobenzene
이름 더 보기
4-사이클로레조시놀4-클로로레조시놀4-클로로레소르시놀Chlororesorcinol4-CHLORO RESRCINOLMonochlororesorcinol4- chlorineResorcinolc.i.76510ororesorcinoL4-CHLOROESORCINOL
C.I. 76510MFCD000022734-chlororesorcineBRN 20428641-Chloro-2,4-dihydroxybenzeneCI 76510AI3-03873WLN: QR CQ DG

데이터베이스 식별자

CAS
95-88-5
PubChem CID
1731
DTXSID
DTXSID8052643
UNII
87045U29QJ
EC Number
202-462-0
Nikkaji
J54.290C

물성

구조 계산 물성

XLogP
2.1
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols
Cosmetics · 2건

Cosmetic ingredients (4-Chlororesorcinol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

LogP1.8
Vapor Pressure0.0012 [mmHg]
Physical DescriptionBeige-brown solid; [EC: SCCS - Opinion] Light beige granular powder with a mild phenolic odor; [Jos. H. Lowenstein and Sons MSDS]
Collision Cross Section122.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8052643]

물리화학적 성질

녹는점
106 · 106-108 °C (lit.)
끓는 점
147 °C/18 · 147 °C/18 mmHg (lit.)
밀도
1.2558 · 1.2558 (rough estimate)
증기압
0.16 Pa · 0.16Pa at 25℃
굴절률
1.462 · 1.4620 (estimate)
인화점
146 · 146-148°C/18mm
화학적 성질 · 1건

4-Chlororesorcinol is a colorless crystalline or off-white to light brown powder with a melting point of 89°C (or 106.5–107.5°C) and a boiling point of 259°C (147°C at 2.4 kPa). It dissolves in water, alcohol, ether, benzene, and carbon disulfide, sublimes readily, and turns blue-purple upon reaction with ferric chloride.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1% (1 of 103) of reports.

Danger

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 4건

Chemical: 1,3-Benzenediol, 4-chloro-

TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21391

4-Chlororesorcinol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,3-Benzenediol, 4-chloro-: Human health tier II assessment
Hazards Summary · 1건

A skin irritant in rabbits; Corrosive to rabbit eye; Considered a moderate skin sensitizer, based on local lymph node assay (LLNA) of mice; Hematotoxicity observed in 90-day oral study of rats; No evidence of developmental toxicity or teratogenicity in rats at doses up to 200 mg/kg/day; [EC: SCCS - Opinion] A severe skin irritant that may cause burns on prolonged contact; Corrosive to eyes; May cause skin sensitization; Harmful by ingestion; [Jos. H. Lowenstein and Sons MSDS] See Resorcinol.

Hazard Classes and Categories · 2건

Acute Tox. 4 (91.3%)

Acute toxicity (ingestion) - category 4

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VH0450000
HS 번호
29081000
risk_code
20/21/22-36/37/38-22
hazard_code
Xn

화학 및 산업

용도 및 제조

Uses · 3건

CIR ingredient: 4-Chlororesorcinol

Used as a coupler in oxidative hair dyes; [EC: SCCS - Opinion]

Dressing Hair [Category: Other]

Household ProductsInformation on 9 consumer products that contain 4-Chlororesorcinol in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,3-Benzenediol, 4-chloro-: ACTIVE
응용 분야 · 2건

개요4-Chlororesorcinol is a relatively safe hair dye agent, exhibiting no embryotoxicity, reproductive toxicity, teratogenic effects, or carcinogenic effects. This ingredient is typically used at concentrations below 1% and is present in over 30 hair dye products. Furthermore, the CIR Expert Panel has concluded that the use of 4-Chlororesorcinol in current hair dye formulations is safe. Furthermore, it may serve as an analytical reagent, functioning as a coupling agent in oxidation coupling reactions to determine the p-aminophenol (p-Amp) content in paracetamol, as well as the concentration of benzocaine (BENZ) and its preparations (ear drops).

용도4-Chlororesorcinol is a halogenated phenol that can be used as hair dye formulation. It can also be used in the synthesis of series of six coumarin compounds carrying halogen and trifluoromethyl, having antifungal activities.

제조 방법 · 1건

4-Chlororesorcinol is synthesized by reacting resorcinol with dichlorosulfuryl. Resorcinol and diethyl ether were mixed, heated to reflux with stirring, and dichlorosulfuryl was slowly added dropwise. The temperature was then raised to 60°C for 1 h. After recovery of ether, atmospheric distillation is carried out, the distillate is subjected to vacuum distillation again, and the 131°C (0.8-0.93kPa) or 160-164°C (4.0kPa) fractions are collected to obtain the finished 4-chlororesorcinol.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东艾利特生物科技有限公司0539-18853986-090 13053958157 · [email protected]

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