4-Chloroanisole
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기본 정보
- CAS
623-12-1- 표준 SMILES
COc1ccc(Cl)cc1- InChIKey
YRGAYAGBVIXNAQ-UHFFFAOYSA-N- 분자식
- C7H7ClO
- 평균 분자량
- 142.58 g/mol
- 단동위원소 질량
- 142.0185425
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 물성보충 중
- XLogP
- 2.8
- 극성 표면적
- 9.2 Ų
- 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
LogP2.78
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: Benzene, 1-chloro-4-methoxy-
REACH registered substance: 4-chloroanisole (EC: 210-772-2)
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
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
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 1-chloro-4-methoxy-: INACTIVE
응용 분야
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.
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