(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane

HCID 10333223

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 447440-43-9
표준 SMILES: C=CC[Si]1(Cl)O[C@@H](c2ccccc2)[C@H](C)N1C
InChIKey: XHCRAANIMMYPDV-APBZJUGRSA-N
분자식: C13H18ClNOSi
평균 분자량: 267.82 g/mol
단동위원소 질량: 267.0846184

이름 및 식별자

우선 이름: (4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane
IUPAC: (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine
영어명: (s,s)-2-ALLYL-2-CHLORO-3,4-DIMETHYL-5-PHENYL-[1,3,2]-OXAZASILOLIDINE
분자식: C13H18ClNOSi
분자량: 267.83

이름 및 동의어

(4S,5S)-2-ALLYL-2-CHLORO-3,4-DIMETHYL-5-PHENYL-1-OXA-3-AZA-2-SILACYCLOPENTANERefChem:403493684-530-3447440-43-9(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazasilolidine(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine(4S,5S)-2-Chloro-3,4-dimethyl-5-phenyl-2-(prop-2-en-1-yl)-1,3,2-oxazasilolidineC13H18ClNOSiSCHEMBL2682527DTXSID10438299XHCRAANIMMYPDV-APBZJUGRSA-NAKOS025295337

이름 더 보기

1-Oxa-3-aza-2-silacyclopentane,2-chloro-3,4-dimethyl-5-pheny...(s,s)-2-ALLYL-2-CHLORO-3,4-DIMETHYL-5-PHENYL-[1,3,2]-OXAZASILOLIDINE1-Oxa-3-aza-2-silacyclopentane, 2-chloro-3,4-dimethyl-5-phenyl-2-(2-propen-1-yl)-, (4S,5S)-(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane, CAS 447440-43-9

DB-200323(4s, 5s)-2-allyl-2-chloro-3,4-dimethyl-5-phenyl-[1,3,2]oxazasilolidine(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-[1,3,2]oxazasilolidine

데이터베이스 식별자

CAS: 447440-43-9
PubChem CID: 10333223
DTXSID: DTXSID10438299
EC Number: 684-530-3
Nikkaji: J1.762.979D

물성

구조 계산 물성

극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 283

물리화학적 성질

밀도: 1.095 g/mL · 1.095 g/mL at 25 °C
굴절률: 20 · n20/D1.517
인화점: 38 ℃ · 38℃
산도 계수 (pKa): 4.43 · 4.43±0.60(Predicted)
물리적 상태: liquid
Specific Gravity: 1.01 · 1.01
끓는 점: 120 °C/5 · 120°C/5 mmHg
InChI: 1S/C13H18ClNOSi/c1-4-10-17(14)15(3)11(2)13(16-17)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-,13+,17/m0/s1
InChIKey: XHCRAANIMMYPDV-APBZJUGRSA-N
SMILES: C[C@H]1[C@@H](O[Si](Cl)(CC=C)N1C)c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P231+P232, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P402+P404, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Water-react. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3132 / PGII
risk_code: 10-15-36/37/38
hazard_code: F,Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3Water-react 2
스토리지 클래스: 4.3 - Hazardous materials which set free flammable gases upon contact with water

화학 및 산업

응용 분야

용도Leighton′s Strained Silacycles: Powerful Enantioselective Allylation ReagentsPractical, enantioselective allylation of acylhydrazonesEnantioselective allylation of ketimines: synthesis of tertiary carbinamines

일반 설명This product is a mixture of diastereomers.