Tetrabutylphosphonium bromide (HCID 76564)

概要

RN given refers to Br

名称と識別子

優先名称: Tetrabutylphosphonium bromide
IUPAC: tetrabutylphosphanium bromide
現地名: テトラブチルホスホニウムブロミド
英語名: Tetrabutylphosphonium bromide
分子式: C16H36BrP
分子量: 339.33

名称と別名

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

名称をさらに表示

テトラブチルホスホニウムブロミドテトラブチルホスホニウム=ブロミドテトラブチルホスホニウム·ブロミドテトラブチルホスホニウムブロミド臭化テトラブチルホスホニウム臭化物ブロマイド臭化テトラブチルホスホニウム臭化テトラ-N-ブチルホスホニウムテトラ-N-ブチルホスホニウム=ブロミド臭化テトラ-n-ブチルホスホニウム, 99%臭化テトラ-n-ブチルホスホニウム, 98%px4bP4,4,4,4BrHISHICOLIN PX-4B1-(3-methoxypropoxy)butaneTributylphosphoniuM broMideTetrabutylphosphoniuM broMidtetrabutyl-phosphoniubromideBromo(tetrabutyl)phosphorane

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 12
重原子数: 18
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: 100 · 100-103 °C(lit.)
比重(密度): 1.8 · 1.8[at 20℃]
蒸気圧: 0.018 Pa · 0.018Pa at 25℃
闪点: 290 °C · 290 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: 結晶
色: 白い
水溶解度: 70 g/100mL · 約70g/100mL
BRN: 4160474 · 4160474
安定性: 吸湿性
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℃
CAS データベース: 3115 · 3115-68-2(CAS DataBase Reference)
NISTの化学物質情報: Phosphonium bromide, tetrabutyl(3115-68-2)
EPAの化学物質情報: Phosphonium, tetrabutyl-, bromide (3115-68-2)

化学的性質

化学的特性Tetrabutylphosphonium bromide is WHITE TO CREAM CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 3 件

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 · 3 件

Acute Tox. 4 (99.4%)

Skin corrosion/irritation - Category 2

Skin sensitization - Category 1B

安全データ

wgk: 3
tsca: TSCA listed
rtecs: TA2417000
ridadr: UN 3464 6.1/PG 3
毒性: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03131,
hs_code: 29310095
risk_code: 21/22-36/37/38-24-20/21/22
化審法: (2)-3487
hazard_code: Xn,T,Xi
safety_code: 26-37/39-45-36/37/39-28A-36
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Met. Corr. 1Repr. 2Skin Sens. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

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

Industry UsesProcessing aids not otherwise specified

General Manufacturing Information · 2 件

Synthetic Rubber Manufacturing

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

応用分野 · 2 件

用途高温反応用相間移動触媒。ルテニウム錯体と用いて合成ガスからエチレングリコール合成触媒となる。

使用Tetrabutylphosphonium 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.