헵틸 트리 페닐 포스 포늄 브로마이드

Heptyltriphenylphosphonium bromide

HCID 2724567

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13423-48-8
표준 SMILES: CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M
분자식: C25H30BrP
평균 분자량: 441.4 g/mol
단동위원소 질량: 440.12685

이름 및 식별자

우선 이름: Heptyltriphenylphosphonium bromide
IUPAC: heptyl(triphenyl)phosphanium bromide
현지명: 헵틸 트리 페닐 포스 포늄 브로마이드
영어명: Heptyltriphenylphosphonium bromide
분자식: C25H30BrP
분자량: 441.38

이름 및 동의어

Heptyltriphenylphosphonium bromideEINECS 236-539-5RefChem:783752236-539-513423-48-8n-Heptyltriphenylphosphonium bromide(1-Heptyl)triphenylphosphonium bromideMFCD00050249heptyltriphenylphosphanium bromideheptyl(triphenyl)phosphanium;bromidePhosphonium, heptyltriphenyl-, bromideC25H30BrP

이름 더 보기

헵틸트리페닐포스포늄브로마이드헵틸트리페닐포스포늄브롬화물헵틸트라이페닐포스포늄 브롬화물TTP(1-Heptyl)Bromo(heptyl)triphenylphosphoraneTriphenylheptylphosphonium bromidebromo(heptyl)triphenyl-l5-phosphaneN-HEPTYL TRIPHENYL PHOSPHONIUMROMIDEHeptyltriphenylphosphoniumBromide>(1-HEPTYL)TRIPHENYLPHOSPHONIUM BROMIDE

heptyl(triphenyl)phosphanium bromiden-Heptyl triphenylphosphonium bromideN-heptyl-triphenylphosphonium bromideSCHEMBL286882Heptyltriphenylphosphoniumbromideheptyltriphenylphosphine, bromiden-heptyltriphenylphosphine bromideDTXSID10928524

데이터베이스 식별자

CAS: 13423-48-8
PubChem CID: 2724567
DTXSID: DTXSID10928524
EC Number: 236-539-5

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 9
무거운 원자 수: 27
형식 전하: 0
복잡도: 313

물리화학적 성질

녹는점: 173 · 173-176 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: almost transparency in Methanol
물리적 상태: 미세 결정성 분말
색상: 하얀색
BRN: 3580843 · 3580843
InChI: 1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M
SMILES: [Br-].CCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3

화학적 성질

white fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29319000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Heptyltriphenylphosphonium Bromide can be used for next Reaction: Stereospecific rearrangement of epoxides to quaternary carbaldehydes. Synthesis of the male pheromone of two species of termite Zootermopsis. Regio- and stereoselective TEMPO oxidation. Diastereoselective synthesis of climacostol for antitumor activity. Enantioselective synthesis of chiral vinylphosphonate and phosphonate analogs of immunosuppressive agent FTY720. Preparation of embelin derivatives with XIAP inhibitory and anticancer activity.