기본 정보
- 표준 SMILES
ClCCOc1ccccc1- InChIKey
VQUYNUJARXBNPK-UHFFFAOYSA-N- 분자식
- C8H9ClO
- 평균 분자량
- 156.61 g/mol
- 단동위원소 질량
- 156.03419259
이름 및 식별자
- 우선 이름
- Benzene, (2-chloroethoxy)-
- IUPAC
- 2-chloroethoxybenzene
- 영어명
- 2-Phenoxyethyl chloride
- 분자식
- C8H9ClO
- 분자량
- 156.61
이름 및 동의어
(2-Chloroethoxy)benzene622-86-6Benzene, (2-chloroethoxy)-Phenoxyethyl chlorideAI3-01380EINECS 210-757-0DTXSID6060761NSC 1073RefChem:562110DTXCID40432762-Phenoxyethyl chloridebeta-Chlorophenetole
이름 더 보기
-ChlorophenetoleB-CHLOROPHENETOLEá-chlorophenetoleβ-chlorophenetole?-chlorophenetolePHENOXYETHYLCHLORIDEOMEGA-CHLOROPHENETOL2-Phenoxyethyl chlor
2-ChloroethoxybenzeneBenzene, chloroethoxy-2-CHLOROETHYL PHENYL ETHERPhenyl 2-Chloroethyl EtherPhenetole, .beta.-chloro-1-Phenoxy-2-chloroethaneMFCD00018946.beta.-Chlorophenetole
데이터베이스 식별자
- CAS
622-86-6- PubChem CID
- 12156
- DTXSID
DTXSID6060761- UNII
- V283WU3KN8
- EC Number
- 210-757-0
- Nikkaji
- J32.083H
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 79.3
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
물리화학적 성질
- 녹는점
- 28 °C · 28°C
- 끓는 점
- 97 · 97-98 °C15 mm Hg(lit.)
- 밀도
- 1.129 g/mL · 1.129 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.534(lit.)
- 인화점
- 213 °F · 213 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 클로로포름, 에틸아세테이트에 용해됨
- 물리적 상태
- 고체
- 색상
- 담황색 오일에서 저융점 무색까지
- BRN
- 971048 · 971048
- InChI
- 1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChIKey
- VQUYNUJARXBNPK-UHFFFAOYSA-N
- SMILES
- ClCCOc1ccccc1
- NIST
- Benzene, (2-chloroethoxy)-(622-86-6)
- EPA
- (2-Chloroethoxy)benzene (622-86-6)
화학적 성질
Pale Yellow Oil
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (92%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 17-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19575
Benzene, (2-chloroethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Peroxide Forming Chemical
(2-Chloroethoxy)benzene
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesSkin Irrit. 2 (92%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265
- HS 번호
- 29093090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, (2-chloroethoxy)-: INACTIVE
응용 분야
용도Phenyl 2-Chloroethyl Ether (cas# 622-86-6) is a compound useful in organic synthesis.
상·하류 제품 정보
상류 원료
하류 제품
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