(에톡시카보닐메틸)트리페닐포스포늄 브로마이드

(Ethoxycarbonylmethyl)triphenylphosphonium bromide

HCID 73731CAS 1530-45-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: VJVZPTPOYCJFNI-UHFFFAOYSA-M
분자식: C22H22BrO2P
평균 분자량: 429.3 g/mol
단동위원소 질량: 428.05407867

이름 및 식별자

우선 이름: (Ethoxycarbonylmethyl)triphenylphosphonium bromide
IUPAC: (2-ethoxy-2-oxoethyl)-triphenylphosphanium bromide
현지명: (에톡시카보닐메틸)트리페닐포스포늄 브로마이드
영어명: (Carbethoxymethyl)triphenylphosphonium bromide
분자식: C22H22BrO2P
분자량: 429.29

이름 및 동의어

(Ethoxycarbonylmethyl)triphenylphosphonium bromidePhosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, bromideRefChem:406453216-230-11530-45-6(Carbethoxymethyl)triphenylphosphonium bromide(2-Ethoxy-2-oxoethyl)triphenylphosphonium bromideTriphenyl(carbethoxymethyl)phosphonium bromideEthoxycarbonylmethyl(triphenyl)phosphonium BromideMFCD00011835DTXSID40934653CS-M0617

이름 더 보기

(에톡시카보닐메틸)트리페닐포스포늄브로마이드에톡시카르보닐메틸(트리페닐)포스포늄브로마이드(에톡시카보닐메틸)트리페닐포스포늄 브로마이드SKL715CEMTPPBNSC 60450(EthoxycarbonyL(Carbethoxymethyl)tr...(CarbethoxyMethyl)triphenylpho(CARBETHOXYMETHYL)TRIPHENYLPHOSP(Carboethoxymethyl)triphenylphosphoniEthoxycarbonyltriphenylphosphoniumbromideethyl (triphenylphosphonio)acetate bromide

(2-Ethoxy-2-oxoethyl)-triphenylphosphanium;bromideNSC-60450AKOS002534030ETHOXYCARBONYLMETHYL-TRIPHENYL-PHOSPHONIUM BROMIDE(CARBOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE ETHYL ESTER(2-Ethoxy-2-oxoethyl) triphenylphosphonium bromide(CARBOETHOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDECarbethoxymethylenetriphenylphosphonium bromide

데이터베이스 식별자

CAS: 1530-45-6
PubChem CID: 73731
DTXSID: DTXSID40934653
UNII: H4A2QTG5DE
EC Number: 216-230-1

물성

구조 계산 물성

극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 26
형식 전하: 0
복잡도: 359

물리화학적 성질

녹는점: 145 · 145-150 °C (dec.) (lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
색상: 하얀색
수용성: 물에 용해됩니다.
BRN: 3581273 · 3581273
InChI: 1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
InChIKey: VJVZPTPOYCJFNI-UHFFFAOYSA-M
SMILES: [Br-].CCOC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3

화학적 성질

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안전 및 규제

GHS 분류

GHS Classification · 4건

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)