4-Chloroanisole (HCID 12167)

개요

structure in first source

이름 및 식별자

우선 이름: 4-Chloroanisole
IUPAC: 1-chloro-4-methoxybenzene
영어명: 4-Chloroanisole
분자식: C7H7ClO
분자량: 142.58

이름 및 동의어

4-Chloroanisole1-Chloro-4-methoxybenzene623-12-1P-CHLOROANISOLEBenzene, 1-chloro-4-methoxy-p-Chlorophenyl methyl etherAnisole, p-chloro-Anisyl chloridep-Chloromethoxybenzene4-Chlorophenol methyl ether0F18BLY08QNSC-4129

이름 더 보기

para-Chloroanisolep-chloroanisol4-ChloroanisolChloro anisole3 4-Chloroanisole

DTXSID1060764RefChem:98541DTXCID7043295210-772-21-methoxy-4-chlorobenzene1-chloro-4-methoxy-benzene4-methoxyphenyl chlorideMFCD00000616

데이터베이스 식별자

CAS: 623-12-1
PubChem CID: 12167
DTXSID: DTXSID1060764
UNII: 0F18BLY08Q
EC Number: 210-772-2
Nikkaji: J96.203A

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 77

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Anisoles

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure0.81 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -18 °C · -18 °C (lit.)
끓는 점: 198 · 198-202 °C (lit.)
밀도: 1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
증기압: 1.08 hPa · 1.08hPa at 25℃
굴절률: 20 · n20/D 1.535(lit.)
인화점: 173 °F · 173 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색~황색으로 투명함
수용성: 섞일 수 없음
BRN: 1858901 · 1858901
Henry's Law Constant: 5.8 · 5.8×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: YRGAYAGBVIXNAQ-UHFFFAOYSA-N
SMILES: COc1ccc(Cl)cc1
LogP: 2.78 at · 2.78 at 25℃
NIST: 1 · Benzene, 1-chloro-4-methoxy-(623-12-1)
EPA: 1 · Benzene, 1-chloro-4-methoxy- (623-12-1)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 44.4% (4 of 9) of reports.

Warning

H302 (44.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, 1-chloro-4-methoxy-

Status: Active Update: 15-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21462

Benzene, 1-chloro-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Peroxide Forming Chemical · 4건

p-Chloroanisole

D*: Other compounds that may form peroxides

No amount of peroxides were found in new commerically available containers

Removal of Peroxides from Ethers with Cerous Hydroxide

Hazard Classes and CategoriesAcute Tox. 4 (44.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2810
HS 번호: 29093090
hazard_code: Xn
safety_code: 23-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-chloro-4-methoxy-: INACTIVE

응용 분야 · 2건

용도4-Chloroanisole was found to react with Cu (II)-smectite forming a blue clay-organic complex. 4-Chloroanisole was chosen as the main test substrate for the optimisation studies as it is electronically deactivated and thus resistant to oxidative addition and consequently very reluctant to enter a catalytic manifold.

일반 설명4-Chloroanisole is an electron-rich chloroarene. It undergoes Ullmann-type homocoupling catalyzed by in situ generated Pd colloids. Reaction of 4-chloroanisole with Cu(II)-smectite in n-hexane, carbon tetrachloride or dichloromethane has been studied. The nucleophilic photosubstitution reactions, photocyanation and photohydrolysis of 4-chloroanisole has been studied by time resolved spectroscopy.

상·하류 제품 정보

상류 원료

하류 제품

Ethyl 4-methoxycinnamate 4,4'-디메톡시디페닐아민 1-(4-메톡시페닐)-1-펜텐-3-온 (4-METHOXYPHENYLETHYNYL)TRIMETHYLSILANE&2-클로로-5-메톡시벤존니트릴 1-(4-메톡시페닐)-1H-이미다졸 Benzenamine, 4-methoxy-N,N-bis(4-methoxyphenyl)-4-CHLORO-2-FLUOROANISOLE ETHYL 4-METHOXYPHENYLACETATE 2-(4-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane 4-Methoxybiphenyl

공급사50 곳

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연결된 노트

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4-Chloroanisole

기본 정보

개요