3-(Butoxy(methyl)phosphoryl)-1-cyanopropyl acetate
기본 정보
- CAS
167004-78-6- 표준 SMILES
CCCCOP(C)(=O)CCC(C#N)OC(C)=O- InChIKey
FVJMPOQOCYFLLM-UHFFFAOYSA-N- 분자식
- C11H20NO4P
- 평균 분자량
- 261.25 g/mol
- 단동위원소 질량
- 261.11299475
이름 및 식별자
- 우선 이름
- 3-(Butoxy(methyl)phosphoryl)-1-cyanopropyl acetate
- IUPAC
- [3-[butoxy(methyl)phosphoryl]-1-cyanopropyl] acetate
이름 및 동의어
HU81O2K1GB3-(Butoxy(methyl)phosphoryl)-1-cyanopropyl acetate167004-78-6EC 605-460-1Phosphinic acid, (3-(acetyloxy)-3-cyanopropyl)methyl-, butyl esterPhosphinic acid, P-(3-(acetyloxy)-3-cyanopropyl)-P-methyl-, butyl esterDTXSID608890553-[BUTOXY(METHYL)PHOSPHORYL]-1-CYANOPROPYL ACETATEPhosphinic acid, [3-(acetyloxy)-3-cyanopropyl]methyl-, butyl esterPhosphinic acid, P-[3-(acetyloxy)-3-cyanopropyl]-P-methyl-, butyl esterRefChem:494511DTXCID401028324
이름 더 보기
605-460-1UNII-HU81O2K1GBSCHEMBL20658951FVJMPOQOCYFLLM-UHFFFAOYSA-NNS00004069Q27280109
데이터베이스 식별자
- CAS
167004-78-6- PubChem CID
- 44145865
- DTXSID
DTXSID60889055- UNII
- HU81O2K1GB
- EC Number
- 605-460-1
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 76.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 334
실험 및 물리화학적 성질
Physical DescriptionLiquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Phosphinic acid, P-[3-(acetyloxy)-3-cyanopropyl]-P-methyl-, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphinic acid, P-[3-(acetyloxy)-3-cyanopropyl]-P-methyl-, butyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33703
Hazard Classes and CategoriesAcute Tox. 3 (100%)
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
General Manufacturing InformationPhosphinic acid, P-[3-(acetyloxy)-3-cyanopropyl]-P-methyl-, butyl ester: ACTIVE
관련 반응
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