Hexadecyltributylphosphonium bromide

HCID 84716CAS 14937-45-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M
분자식: C28H60P.Br
평균 분자량: 507.7 g/mol
단동위원소 질량: 506.36160065

개요

a selective nuclear factor of activated T cells (NFAT) signaling inhibitor; structure in first source

이름 및 식별자

우선 이름: Hexadecyltributylphosphonium bromide
IUPAC: tributyl(hexadecyl)phosphanium bromide
영어명: Cetyltributylphosphonium bromide
분자식: C28H60BrP
분자량: 507.67

이름 및 동의어

14937-45-2Tributylhexadecylphosphonium bromideHexadecyltributylphosphonium bromidePhosphonium, tributylhexadecyl-, bromidePhosphonium, tributylhexadecyl-, bromide (1:1)DTXSID50884776THPB compoundRefChem:786058DTXCID301024200239-014-9tributyl(hexadecyl)phosphonium bromideCETYLTRIBUTYLPHOSPHONIUM BROMIDE

이름 더 보기

TBHDPBtri-n-butylhexadecylphosphonium bromideHISHICOLIN PX-416BTributyl(hexadecyl)Hexadecyl tributyl pCetyltributyl phosphorus bromidetributyl(cetyl)phosphonium bromide

tributyl(hexadecyl)phosphanium bromideMFCD00011775C28H60BrPtributyl(hexadecyl)phosphanium;bromideHexadecyl tributyl phosphonium bromideTRIBUTYL(HEXADECYL)PHOSPHONIUM;BROMIDEcetyl tributyl phosphonium bromidehexadecyl tributylphosphonium bromide

데이터베이스 식별자

CAS: 14937-45-2
PubChem CID: 84716
DTXSID: DTXSID50884776
ChEMBL: CHEMBL110738、CHEMBL380900
EC Number: 239-014-9

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 24
무거운 원자 수: 30
형식 전하: 0
복잡도: 277

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phosphorus Compounds

Physical DescriptionWhite hygroscopic powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 56 · 56-58 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
물리적 상태: 수정 같은
색상: 하얀색
BRN: 4167404 · 4167404
InChI: InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M
SMILES: [P+](CCCC)(CCCC)(CCCC)CCCCCCCCCCCCCCCC.[Br-]
EPA: Phosphonium, tributylhexadecyl-, bromide (14937-45-2)

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 Information · 2건

Chemical: Phosphonium, tributylhexadecyl-, bromide

Phosphonium, tributylhexadecyl-, bromide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzyltriphenylphosphonium bromide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2931599090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
F 고인화성물질: 21
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhosphonium, tributylhexadecyl-, bromide (1:1): ACTIVE

응용 분야 · 1건

용도Tributylhexadecylphosphonium Bromide (CAS# 14937-45-2) is a dynamic compound used as a surface modifier for thermal properties of palygorskite, an additive in water to improve resistance of epoxy-anhydride matrices, and as a modifier of phenolic resin to improve thermal degradation.

제조 방법

Cetyltributylphosphonium bromide is prepared by heating equimolar amounts of 1-bromohexadecane and Tri-n-butylphosphine at 65 °C for 3 days (yield 68%).