Tetrabutylphosphonium bromide (HCID 76564)

개요

RN given refers to Br

이름 및 식별자

우선 이름: Tetrabutylphosphonium bromide
IUPAC: tetrabutylphosphanium bromide
현지명: 테트라뷰틸포스포니움 브롬화물
영어명: Tetrabutylphosphonium bromide
분자식: C16H36BrP
분자량: 339.33

이름 및 동의어

Tetrabutylphosphonium bromide3115-68-2Tetra-N-butylphosphonium bromidePhosphonium, tetrabutyl-, bromideDTXSID6047945NSC-419422953275L2KDTXCID6027921Bu4PBrDTXSID0045042TBP BrRefChem:188422

이름 더 보기

테트라부틸포스포니움브롬화물테트라뷰틸포스포니움브롬화물테트라뷰틸포스포니움브롬화물px4bP4,4,4,4BrHISHICOLIN PX-4B1-(3-methoxypropoxy)butaneTributylphosphoniuM broMideTetrabutylphosphoniuM broMidtetrabutyl-phosphoniubromideBromo(tetrabutyl)phosphorane

DTXCID8025042221-487-8Tetrabutylphosphoniumtetrabutylphosphanium;bromideMFCD00011853tetrabutylphosphanium bromidePX 4BEINECS 221-487-8

데이터베이스 식별자

CAS: 3115-68-2
PubChem CID: 76564
DTXSID: DTXSID6047945
ChEMBL: CHEMBL3185844
UNII: 2953275L2K
EC Number: 221-487-8

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 12
무거운 원자 수: 18
형식 전하: 0
복잡도: 116

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: 100 · 100-103 °C(lit.)
밀도: 1.8 · 1.8[at 20℃]
증기압: 0.018 Pa · 0.018Pa at 25℃
인화점: 290 °C · 290 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 수정 같은
색상: 하얀색
수용성: 70 g/100mL · 약 70g/100mL
BRN: 4160474 · 4160474
안정성: 흡습성
InChI: 1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey: JRMUNVKIHCOMHV-UHFFFAOYSA-M
SMILES: [Br-].CCCC[P+](CCCC)(CCCC)CCCC
LogP: -0.44 at · -0.44 at 23℃
NIST: Phosphonium bromide, tetrabutyl(3115-68-2)
EPA: Phosphonium, tetrabutyl-, bromide (3115-68-2)

화학적 성질

Tetrabutylphosphonium bromide is WHITE TO CREAM CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

유해성 정보

Regulatory Information · 3건

Phosphonium, tetrabutyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, tetrabutyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18995

Tetrabutylphosphonium: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3건

Acute Tox. 4 (99.4%)

Skin corrosion/irritation - Category 2

Skin sensitization - Category 1B

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TA2417000
ridadr: UN 3464 6.1/PG 3
독성: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03131,
HS 번호: 29310095
risk_code: 21/22-36/37/38-24-20/21/22
hazard_code: Xn,T,Xi
safety_code: 26-37/39-45-36/37/39-28A-36
포장분류: II
위험 등급: 6.1
기존화학 물질: KE-33276
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Met. Corr. 1Repr. 2Skin Sens. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesProcessing aids not otherwise specified

General Manufacturing Information · 2건

Synthetic Rubber Manufacturing

Phosphonium, tetrabutyl-, bromide (1:1): ACTIVE

응용 분야 · 1건

용도Tetrabutylphosphonium bromide (TBPB) is a quaternary salt which can be used:As a medium to disperse ruthenium catalyst for the synthesis of ethylene glycol from synthesis gas via ruthenium melt catalysis.As a catalyst supported on silica or alumina for the halogen exchange reaction to synthesize alkyl bromide from alkyl chloride.To synthesize various ionic liquids on mixing with different proportions of 1,3-dimethylurea for capturing NO gas.As a hydrogen-bond acceptor along with levulinic acid as a hydrogen-bond donor for the preparation of deep eutectic solvents to separate toluene from toluene/n-hexane mixtures.To prepare ionic semiclathrate hydrates.