기본 정보
- CAS
41003-94-5- 표준 SMILES
[C-]#[N+]CP(=O)(OCC)OCC- InChIKey
ICURVXBGGDVHDT-UHFFFAOYSA-N- 분자식
- C6H12NO3P
- 평균 분자량
- 177.14 g/mol
- 단동위원소 질량
- 177.05547987
이름 및 식별자
- 우선 이름
- Diethyl (isocyanomethyl)phosphonate
- IUPAC
- 1-[ethoxy(isocyanomethyl)phosphoryl]oxyethane
- 영어명
- DIETHYL ISOCYANOMETHYLPHOSPHONATE
- 분자식
- C6H12NO3P
- 분자량
- 177.14
이름 및 동의어
diethyl (isocyanomethyl)phosphonateRefChem:587031627-228-9Diethyl isocyanomethylphosphonate41003-94-51-[ethoxy(isocyanomethyl)phosphoryl]oxyethaneMFCD00042951DIETHylisoCYANOMETHYLPHOSPHONATESCHEMBL970388(diethoxycarbonyl)methanisocyanidediethyl(isocyanomethyl)phosphonateDTXSID80370450
이름 더 보기
Diethyl (isocyanomethyl)DiethyleisocyanomethylphosphonateDiethoxyphosphinylmethyl isocyanideDiethyl P-(isocyanomethyl)phosphonateDiethyl isocyanomethylphosphonate 97%Diethyl isocyanomethylphosphonate,97%[(Diethoxyphosphinyl)methyl] isocyanideISOCYANOMETHYL-PHOSPHONIC ACID DIETHYL ESTER
ICURVXBGGDVHDT-UHFFFAOYSA-NAKOS015913059AKOS024370872GS-0351FD181605SY129334DB-254445ST51006828
데이터베이스 식별자
- CAS
41003-94-5- PubChem CID
- 2734699
- DTXSID
DTXSID80370450- EC Number
- 627-228-9
- Nikkaji
- J441.015G
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 39.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 185
물리화학적 성질
- 끓는 점
- 84 · 84-87 °C0.1 mm Hg(lit.)
- 밀도
- 1.105 g/mL · 1.105 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.433(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- BRN
- 4674920 · 4674920
- InChI
- 1S/C6H12NO3P/c1-4-9-11(8,6-7-3)10-5-2/h4-6H2,1-2H3
- InChIKey
- ICURVXBGGDVHDT-UHFFFAOYSA-N
- SMILES
- CCOP(=O)(C[N+]#[C-])OCC
화학적 성질
Clear colorless to yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (95.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
안전 데이터
- wgk
- 3
- ridadr
- UN2206
- HS 번호
- 29319090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- 위험 등급
- 6.1
- F 고인화성물질
- 8-9
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요Diethyl isocyanoMethylphosphonate is a reagent for the elongation of aldehydes and ketones with a one-carbon unit; connective reagent; N,P-acetals; reagent for the conversion of nitroalkenes into 2-pyrrolephosphonates.
용도Reactant for:Copper-catalyzed cycloaddition reactionsPreparation of orally bioavailable diamide prodrugs that lower glucose in diabetic animals through inhibition of fructose-1,6-bisphosphataseSynthesis of sterol analogs as antifungal agents against plant pathogensAsymmetric synthesis of steroidal 2,5-diketopiperazines prepared via isocyanide chemistry based on stereoselective Ugi four component condensation and subsequent cyclocondensation reactionsThe Passerini reaction
공급사15 곳
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
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