기본 정보
- CAS
10236-14-3- 표준 SMILES
CCOC(=O)/C=C/CP(=O)(OCC)OCC- InChIKey
LXLODBXSCRTXFG-BQYQJAHWSA-N- 분자식
- C10H19O5P
- 평균 분자량
- 250.23 g/mol
개요
See also: ethyl (2E)-4-(diethoxyphosphoryl)but-2-enoate (annotation moved to).
이름 및 식별자
- 우선 이름
- Triethyl 4-phosphonocrotonate, mixture of isomers
- IUPAC
- ethyl (E)-4-diethoxyphosphorylbut-2-enoate
- 영어명
- TRIETHYL 4-PHOSPHONOCROTONATE
- 분자식
- C10H19O5P
- 분자량
- 250.23
이름 및 동의어
10236-14-3RefChem:899472623-775-2Triethyl 4-phosphonocrotonate42516-28-9(E)-Ethyl 4-(diethoxyphosphoryl)but-2-enoateethyl 4-(diethoxyphosphoryl)but-2-enoateethyl (E)-4-diethoxyphosphorylbut-2-enoateMFCD00009192ethyl (2E)-4-(diethyl phosphono)but-2-enoateTriethyl .gamma.-phosphonocrotonateTriethyl 4-phosphonocrotonate, cis + trans
이름 더 보기
Ethyl 4-(diethoxyphosphoryl)TRIETHYL 4-PHOSPHONO-2-BUTENOATEtriethyl trans-4-phosphono-2-butenoate4-PHOSPHONOCROTONIC ACID TRIETHYL ESTEREthyl 4-(diethoxyphosphinyl)-2-butenoate
Ethyl (E)-4-(diethoxyphosphoryl)but-2-enoateEthyl(E)- 4-(diethoxyphosphoryl)but-2-enoate2-Butenoic acid, 4-(diethoxyphosphinyl)-, ethyl esterNSC100748trans-Ethyl-4-(diethylphosphono)crotonateEthyl 4-(diethylphosphono)crotonateSCHEMBL687973ethyl 4-diethylphosphonocrotonate
데이터베이스 식별자
- CAS
10236-14-3、42516-28-9
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 264
물리화학적 성질
- 끓는 점
- 135 °C0.4 · 135 °C0.4 mm Hg(lit.)
- 밀도
- 1.128 g/mL · 1.128 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.455(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- 액체
- 색상
- 맑은 연한 노란색
- InChI
- 1S/C10H19O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
- InChIKey
- LXLODBXSCRTXFG-BQYQJAHWSA-N
- SMILES
- CCOC(=O)\C=C\CP(=O)(OCC)OCC
화학적 성질
CLEAR LIGHT YELLOW LIQUID
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29319090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Triethyl 4-phosphonocrotonate is used as a reactant for iminodipropionic acid as a leaving group for DNA polymerization by HIV-1 reverse transcriptase, orally bioavailable GPR40 agonist synthesis, preparation of mGlu4R agonists and synthesis of fluoroketone inhibitors of group VIA calcium-independent phospholipase A2.
상·하류 제품 정보
상류 원료
공급사33 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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