기본 정보
- CAS
66165-37-5- 표준 SMILES
CCOP(=O)(O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
WBSRIXCTCFFHEF-UHFFFAOYSA-N- 분자식
- C17H29O4P
- 평균 분자량
- 328.4 g/mol
- 단동위원소 질량
- 328.1803464
이름 및 식별자
- 우선 이름
- Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate
- IUPAC
- (3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinic acid
- 현지명
- 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONICACID모노에틸에스테르
- 영어명
- 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONIC ACID MONOETHYL ESTER
- 분자식
- C17H29O4P
- 분자량
- 328.38
이름 및 동의어
66165-37-5Ethyl hydrogen ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonateEINECS 266-207-553BC4EK4MNDTXSID4044296(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonic acid monoethyl esterPhosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl esterPHOSPHONIC ACID, ((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-, MONOETHYL ESTERPHOSPHONIC ACID, P-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-, MONOETHYL ESTEREthyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonateRefChem:596212DTXCID2024296
이름 더 보기
3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONICACID모노에틸에스테르Monoethyl3,5-Di-tert-butyl-4-hydroxybenzylphosphonate>ETHYL HYDROGEN 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATE3,5-Di(tert-butyl)-4-hydroxybenzylphosphonic acid hydrogen=ethyl esterPhosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester Ethyl Hydrogen 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 384
물리화학적 성질
- 녹는점
- 128 °C · 128 °C
- 끓는 점
- 408.3 · 408.3±47.0 °C(Predicted)
- 밀도
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 2.38 · 2.38±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester
안전 데이터
- HS 번호
- 2931.90.6000
화학 및 산업
공급사17 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
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上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
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