N-n-プロピルアニリン

Benzenamine, N-propyl-

HCID 12153CAS 622-80-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCNc1ccccc1
InChIKey: CDZOGLJOFWFVOZ-UHFFFAOYSA-N
分子式: C9H13N
平均分子量: 135.21 g/mol
単同位体質量: 135.10479942

名称と識別子

優先名称: Benzenamine, N-propyl-
IUPAC: N-propylaniline
現地名: N-n-プロピルアニリン
英語名: N-Propylaniline
分子式: C9H13N
分子量: 135.21

名称と別名

N-PROPYLANILINE622-80-0Benzenamine, N-propyl-PropylanilineEINECS 210-754-4AI3-08884DTXSID2060759RefChem:562005DTXCID4043274210-754-4Aniline, N-propyl-Aniline, N-n-propyl-

名称をさらに表示

N-n-プロピルアニリンフェニルプロピルアミンN-プロピルアニリンN-プロピルベンゼンアミンプロピルアニリンＮプロピルアニリンSKL121N-Propylaniline>N-PropylbenzenamineN-Phenylpropylaminen-propyl-benzenaminPHENYL-PROPYL-AMINE

MFCD00048678phenyl(propyl)amineN-n-PropylanilineN-PropylbenzenamineN-propyl anilineN-propyl-anilineN-(n-Propyl)anilineKXB76C7PER

データベース識別子

CAS: 622-80-0
PubChem CID: 12153
DTXSID: DTXSID2060759
UNII: KXB76C7PER
EC Number: 210-754-4
Nikkaji: J1.221A

物性

構造計算による物性

XLogP: 2.5
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 74.8

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

LogP2.45

物理化学的性質

融点: -6.87 °C · -6.87°C (estimate)
沸点: 220 °C · 220°C
比重(密度): 0 · 0,95 g/cm3
屈折率: 1.541 to · 1.5410 to 1.5440
闪点: 91 °C · 91°C
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 5.04 · 5.04±0.20(Predicted)
外見: clear liquid
比重: 0.942 · 0.942~0.949 (20/4℃)
色: White to Yellow to Green
CAS データベース: 622 · 622-80-0(CAS DataBase Reference)
NISTの化学物質情報: N-Propylaniline(622-80-0)
EPAの化学物質情報: Benzenamine, N-propyl- (622-80-0)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

tsca: TSCA listed
hs_code: 2921490090
risk_code: 20/21/22-36/37/38
化審法: (3)-118, (3)-206
消防法: 危-4-3-III
safety_code: 26-36/37/39
毒劇物取締法: 劇物

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, N-propyl-: INACTIVE

調製方法 · 1 件

製造方法N-propylaniline was efficiently synthesized in a vapor phase from aniline and 1-propanol at atmospheric pressure over the Cu/SiO2 catalyst that was prepared by the incipient wetness method and temperature-programmed calcination. The catalyst exhibited very high activity and selectivity. At the reaction temperature of 260°C, 1-propanol conversion reached 100%, and the selectivity for N-propylaniline exceeded 92%. The results of X-ray diffraction showed that the Cu/SiO2 catalyst with high catalytic activity and selectivity had good crystallinity of copper.https://doi.org/10.1016/S1872-2067(07)60027-8