基本情報
- 標準SMILES
CCC[N+](CCC)(CCC)CCC.[Br-]- InChIKey
BGQMOFGZRJUORO-UHFFFAOYSA-M- 分子式
- C12H28N.Br
- 平均分子量
- 266.26 g/mol
概要
Tetrapropylammonium bromide is a white to off-white crystalline solid. (NTP, 1992)
名称と識別子
- 優先名称
- Tetrapropylammonium bromide
- IUPAC
- tetrapropylazanium bromide
- 現地名
- テトラプロピルアンモニウムブロミド
- 英語名
- Tetrapropylammonium bromide
- 分子式
- C12H28BrN
- 分子量
- 266.27
名称と別名
名称をさらに表示
データベース識別子
- CAS
1941-30-6- PubChem CID
- 74745
- DTXSID
DTXSID9026130- ChEMBL
CHEMBL3561370- ChEBI
CHEBI:55318- UNII
- 220T63791N
- EC Number
- 217-727-6
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 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
- 8
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 80.2
実験および物理化学的性質
Physical Description
Tetrapropylammonium bromide is a white to off-white crystalline solid. (NTP, 1992)
Liquid
White to off-white hygroscopic solid; [CAMEO] White hygroscopic crystals; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 266 · 266-272 °C
- 比重(密度)
- 1.1949 · 1.1949 (rough estimate)
- 屈折率
- 1.526 · 1.5260 (estimate)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 2 O: · H2O: 0.1 g/mL、透明
- 外見
- 結晶または結晶性粉末
- 色
- 白い
- PH
- 5 · 5-7 (100g/l, H2O)
- 臭い (Odor)
- 無臭
- 水溶解度
- 100 g/L · 100g/L
- BRN
- 3567846 · 3567846
- InChI
- 1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
- InChIKey
- JRMUNVKIHCOMHV-UHFFFAOYSA-M
- SMILES
- [Br-].CCC[N+](CCC)(CCC)CCC
- LogP
- -0.3 at · -0.3 at 20℃
- CAS データベース
- 1941 · 1941-30-6(CAS DataBase Reference)
- EPAの化学物質情報
- Tetrapropylammonium bromide (1941-30-6)
化学的性質
化学的特性white crystals or crystalline powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 97.7% (2118 of 2168) of all reports.
Not Classified
Aggregated GHS information provided per 2168 reports by companies from 11 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1-Propanaminium, N,N,N-tripropyl-, bromide
1-Propanaminium, N,N,N-tripropyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, N,N,N-tripropyl-, 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: 11-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10488
1-Propanaminium, N,N,N-tripropyl-, bromide: Does not have an individual approval but may be used under an appropriate group standard
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
安全データ
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BS8390000
- 毒性
- LD50 orally in Rabbit: 3500 mg/kg
- hs_code
- 29239000
- risk_code
- 36/37/38
- 化審法
- (2)-186
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Inorganic Chemical Manufacturing
1-Propanaminium, N,N,N-tripropyl-, bromide (1:1): ACTIVE
応用分野
使用Tetra-n-propylammonium bromide, is used as surface-active agents, Solvents, Intermediates, Active Ingredient for Conditioners, Antistatic Agent, Detergent Sanitisers, Softner for textiles and paper products, Phase Transfer Catalyst, Antimicrobials, Disinfection Agents And Sanitizers, Slimicidal Agents, Emulsifying Agents and Pigment Dispersers.
一般的な説明White to off-white crystalline solid.
調製方法
純化方法Crystallise it from ethyl acetate/EtOH (9:1), acetone or MeOH. Dry it at 110o under reduced pressure. [Beilstein 4 IV 471.]
上流・下流製品情報
下流製品
サプライヤー50 社
補足説明
定義ChEBI: A quarternary ammonium bromide salt in which the cation has four propyl substituents around the central nitrogen.
関連反応
関連ノート
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