기본 정보
- CAS
82168-34-1- 표준 SMILES
C=CC(=O)OCCOCCOC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1- InChIKey
KBWZQMFOIHPJGO-UHFFFAOYSA-N- 분자식
- C21H19ClO6
- 평균 분자량
- 402.8 g/mol
- 단동위원소 질량
- 402.087016
이름 및 식별자
- 우선 이름
- Benzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]ethyl ester
- IUPAC
- 2-(2-prop-2-enoyloxyethoxy)ethyl 2-(4-chlorobenzoyl)benzoate
- 영어명
- 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl 2-(4-chlorobenzoyl)benzoate
- 분자식
- C21H19ClO6
- 분자량
- 402.82496
이름 및 동의어
EINECS 279-910-72-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl 2-(4-chlorobenzoyl)benzoateDTXSID108885932-(2-((1-Oxo-2-propenyl)oxy)ethoxy)ethyl 2-(4-chlorobenzoyl)benzoateBenzoic acid, 2-(4-chlorobenzoyl)-, 2-(2-((1-oxo-2-propen-1-yl)oxy)ethoxy)ethyl esterBenzoic acid, 2-(4-chlorobenzoyl)-, 2-(2-((1-oxo-2-propenyl)oxy)ethoxy)ethyl esterBenzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl esterBenzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]ethyl esterRefChem:565423DTXCID401027869Benzoic acid, 2-(4-chlorobenzoyl)-, 2-2-(1-oxo-2-propenyl)oxyethoxyethyl ester279-910-7
이름 더 보기
2-(4-Chlorobenzoyl)benzoic acid 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl ester
82168-34-1SCHEMBL279022KBWZQMFOIHPJGO-UHFFFAOYSA-NNS000603482-{2-[(Prop-2-enoyl)oxy]ethoxy}ethyl 2-(4-chlorobenzoyl)benzoate
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 541
물리화학적 성질
- EPA
- 2 · Benzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl ester (82168-34-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl ester
Benzoic acid, 2-(4-chlorobenzoyl)-, 2-2-(1-oxo-2-propenyl)oxyethoxyethyl ester: 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.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]ethyl ester: ACTIVE
관련 반응
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