4- 카르복시 부틸 트리 페닐 포스 포늄 브로마이드

(4-Carboxybutyl)triphenylphosphonium bromide

HCID 161236CAS 17814-85-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: MLOSJPZSZWUDSK-UHFFFAOYSA-N
분자식: C23H24BrO2P
평균 분자량: 443.3 g/mol
단동위원소 질량: 442.06972874

이름 및 식별자

우선 이름: (4-Carboxybutyl)triphenylphosphonium bromide
IUPAC: 4-carboxybutyl(triphenyl)phosphanium bromide
현지명: 4- 카르복시 부틸 트리 페닐 포스 포늄 브로마이드
영어명: (4-Carboxybutyl)triphenylphosphonium bromide
분자식: C23H24BrO2P
분자량: 443.31

이름 및 동의어

(4-Carboxybutyl)triphenylphosphonium bromide17814-85-6Phosphonium, (4-carboxybutyl)triphenyl-, bromideDTXSID6057669NSC 147756EINECS 241-782-5DTXCID7031458RefChem:69466241-782-5Tafluprost Impurity 74-carboxybutyl(triphenyl)phosphanium;bromidePhosphonium, (4-carboxybutyl)triphenyl-, bromide (1:1)

이름 더 보기

4-카르복시부틸트리페닐포스포늄브로마이드CBT(4-Carboxybut(4-CarboxybutyLLatanoprost Impurity 20Alprostadil Impurity 17Rivastigmine Impurity 58Tafluprost Impurity 9 Bromide(4-Carboxybutyl)triphenylphosp

4-Carboxybutyl triphenylphosphonium bromideMFCD00011906NSC-1477565-(TRIPHENYLPHOSPHONIO)PENTANOIC ACID BROMIDESCHEMBL1634524-(Carboxybutyl)triphenylphosphonium BromideCARBOXYBUTYLTRIPHENYLPHOSPHONIUM BROMIDENSC147756

데이터베이스 식별자

CAS: 17814-85-6
PubChem CID: 161236
DTXSID: DTXSID6057669
ChEMBL: CHEMBL3250674
UNII: U574RP8CHR
EC Number: 241-782-5

물성

구조 계산 물성

극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 27
형식 전하: 0
복잡도: 372

물리화학적 성질

녹는점: 204 · 204-207 °C(lit.)
끓는 점: 324.7 · 324.7-327.4℃ at 101.93-102.15kPa
밀도: 1.371 at · 1.371 at 20℃
증기압: 0 Pa · 0Pa at 25℃
인화점: 195 ° · 195°(383°F)
저장 조건: 30 °C · Store below +30°C.
용해도: DMSO, 메탄올, 물에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 에탄올, 메탄올 및 수용성 물에 용해됩니다. 톨루엔과 헥산에 불용성.
BRN: 3586477 · 3586477
InChI: 1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
InChIKey: KQJPHSBFOSLICV-UHFFFAOYSA-N
SMILES: [Br-].OC(=O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
LogP: 0.146 · 0.146

화학적 성질

WHITE TO ALMOST WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.

Warning

H302 (13.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 20-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16755

4-Carboxylbutyltriphenylphosphonium bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (13.2%)

안전 데이터

wgk: 3
ridadr: 3278
HS 번호: 29310095
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects