Phenyltrimethylammonium chloride (HCID 67309)

名称と識別子

優先名称: Phenyltrimethylammonium chloride
IUPAC: trimethyl(phenyl)azanium chloride
現地名: トリメチルフェニルアンモニウムクロリド
英語名: Trimethylphenylammonium chloride
分子式: C9H14ClN
分子量: 171.67

名称と別名

138-24-9Phenyltrimethylammonium chlorideN,N,N-Trimethylanilinium chlorideAmmonyx 200Trimethylanilinium chlorideBenzenaminium, N,N,N-trimethyl-, chloride (1:1)Trimethylphenyl ammonium chloride1886BWR70SDTXSID6051699RefChem:861843DTXCID9030254205-319-0

名称をさらに表示

トリメチルフェニルアンモニウムクロリドフェニルトリメチルアミニウム·クロリドN,N,N-トリメチルベンゼンアミニウム·クロリドフェニルトリメチルアンモニウム·クロリドトリメチルフェニルアミニウム·クロリド塩化トリメチルアンモニウム塩化物塩化トリメチルフェニルアンモニウム塩化物クロライド塩化フェニルトリメチルアンモニウムフェニルトリメチルアンモニウムクロライドN,N,N-トリメチルベンゼナミニウムクロリドフェニルトリメチルアンモニウムクロリドフェニルトリメチルアンモニウムクロリド, 98+%塩化トリメチルアンモニウム塩化トリメチルフェニルアンモニウムammonyx200n,n,n-trimethyl-bentrimethylaniliniumchlorideTriMethylphenylaMMoniuM chloridphenyltrimethyl-ammoniuchloridetrimethylphenyl-ammoniuchloride

N,N,N-Trimethylbenzenaminium chlorideTrimethylphenylammonium chlorideBenzenaminium, N,N,N-trimethyl-, chlorideTrimethylphenylammoniumchloridetrimethyl(phenyl)azanium;chlorideMFCD00011790CHEMBL1209421Ammonium, phenyltrimethyl-, chloride

データベース識別子

CAS: 138-24-9
PubChem CID: 67309
DTXSID: DTXSID6051699
ChEMBL: CHEMBL1209421
UNII: 1886BWR70S
EC Number: 205-319-0

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: 1
重原子数: 11
形式電荷: 0
複雑度: 95.8

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Quaternary Amines

Industrial compound

Physical DescriptionWhite crystalline powder; Hygroscopic; [Alfa Aesar MSDS]

物理化学的性質

融点: 246 · 246-248 °C (dec.) (lit.)
沸点: 283.2 °C · 283.2°C (rough estimate)
比重(密度): 1.0683 · 1.0683 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.6224 · 1.6224 (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: 個体
色: 白色結晶
PH: 4.5 · 4.5 (333g/l, H2O, 20℃)
爆発限界(explosive limit): 1 · 1-6%(V)
水溶解度: 溶ける
BRN: 3572527 · 3572527
InChI: 1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKey: MQAYPFVXSPHGJM-UHFFFAOYSA-M
SMILES: [Cl-].C[N+](C)(C)c1ccccc1
LogP: 0.542 at · 0.542 at 25℃
CAS データベース: 138 · 138-24-9(CAS DataBase Reference)
NISTの化学物質情報: Trimethylphenylammonium chloride(138-24-9)
EPAの化学物質情報: Benzenaminium, N,N,N-trimethyl-, chloride (138-24-9)

化学的性質

化学的特性White or greyish-bleu crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenaminium, N,N,N-trimethyl-, chloride

Status: Active Update: 02-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18578

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

Hazards SummaryMay cause irritation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See Phenyltrimethylammonium bromide and Phenyltrimethylammonium iodide.

Hazard Classes and Categories · 3 件

Acute Tox. 3 (100%)

Acute toxicity - category 3

Acute Tox. 3 *

安全データ

wgk: 1
tsca: TSCA listed
rtecs: BT2190000
ridadr: UN 2811 6.1/PG 3
毒性: LD50 orally in Rabbit: 121 mg/kg LD50 dermal Rabbit 309 mg/kg
hs_code: 29239000
risk_code: 24/25
化審法: (9)-1187
hazard_code: T
safety_code: 53-25-39-45
hazard_class: 6.1
packing_group: III
自然発火温度: 237°C
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3
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

薬理情報

MeSH Pharmacological Classification · 1 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

General Manufacturing InformationBenzenaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE

応用分野

使用Phenyltrimethylammonium chloride is an effective phase transfer catalyst, methylating agent, also useful for alkaline depolymerizations, corrosion inhibitor for low carbon steel.