1,3-디옥솔란-2-일메틸)트리페닐포스포늄 브로마이드

(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide

HCID 2724194

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52509-14-5
표준 SMILES: [Br-].c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIKey: FRHRVQQUICVJDG-UHFFFAOYSA-M
분자식: C22H22BrO2P
평균 분자량: 429.3 g/mol
단동위원소 질량: 428.05407867

이름 및 식별자

우선 이름: (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide
IUPAC: 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide
현지명: 1,3-디옥솔란-2-일메틸)트리페닐포스포늄 브로마이드
영어명: (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide
분자식: C22H22BrO2P
분자량: 429.29

이름 및 동의어

52509-14-5(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromideRefChem:68095DHX-1257-977-3((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide[(1,3-dioxolan-2-yl)methyl]triphenylphosphonium bromide(1,3-Dioxolan-2-yl)methyltriphenylphosphonium BromideMFCD00011966Phosphonium, (1,3-dioxolan-2-ylmethyl)triphenyl-, bromideEINECS 257-977-31,3-dioxolan-2-ylmethyl(triphenyl)phosphanium;bromide

이름 더 보기

(1,3-디옥솔란-2-일메틸)트리페닐포스포늄브로마이드1,3-디옥솔란-2-일메틸)트리페닐포스포늄브로마이드OMTPPB96.0%(T)2-(1,3)-DIOLABOTEST-BB LT00233112Amyl 4-Carboxyphenyl Carbonate >(1,3-DIOXOLAN-2-YL)-METHYLTRIPHENYLPHOSP1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium1,3-Dioxolan-2-ylmethyl-triphenylphosphanium bromide(2-(Triphenylphosphonio)methyl)-1,3-dioxolaneBromide

1,3-dioxolan-2-ylmethyl(triphenyl)phosphonium bromideCS-W008414(1,3-Dioxolan-2-ylmethyl)triphenyl-phosphonium bromide[(1,3-dioxolan-2-yl)methyl]triphenylphosphanium bromide(1,3-dioxolan-2-ylmethyl)triphenylphosphine, bromideSCHEMBL510812(1,3-Dioxolan-2-ylmethyl)(triphenyl)phosphonium bromideDTXSID00966950

데이터베이스 식별자

CAS: 52509-14-5
PubChem CID: 2724194
DTXSID: DTXSID00966950
EC Number: 257-977-3

물성

구조 계산 물성

극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 26
형식 전하: 0
복잡도: 343

물리화학적 성질

녹는점: 193 · 193-195 °C(lit.)
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 분말 또는 결정
색상: 흰색에서 밝은 갈색까지
수용성: 물(20°C)에 용해됩니다.
InChI: InChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1
InChIKey: FRHRVQQUICVJDG-UHFFFAOYSA-M
SMILES: [P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC1OCCO1.[Br-]

화학적 성질

white to light brown granular powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (91.5%): Harmful if swallowed [Warning Acute toxicity, oral]

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information(1,3-dioxolan-2-yl)-methyltriphenylphosphonium bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (91.5%)

안전 데이터

wgk: 3
HS 번호: 29329970
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium Bromide is used as a reactant in the synthesis of ketolides methyloxoerythromycins with antibacterial activity as highly potent against macrolide-resistant and susceptible respiratory pathogens.