2-ブチルアニリン

o-Butyl-aniline

HCID 75909

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2696-85-7
標準SMILES: CCCCc1ccccc1N
InChIKey: HDVUPIFFKAHPJY-UHFFFAOYSA-N
分子式: C10H15N
平均分子量: 149.23 g/mol
単同位体質量: 149.12044948

名称と識別子

優先名称: o-Butyl-aniline
IUPAC: 2-butylaniline
現地名: 2-ブチルアニリン
英語名: 2-N-BUTYLANILINE
分子式: C10H15N
分子量: 149.23

名称と別名

2-Butylaniline2696-85-7o-Butyl-anilineDTXSID60181445EINECS 220-272-6RefChem:855213DTXCID70103936220-272-6Benzenamine, 2-butyl-2-N-butylanilineo-aminobutylbenzene2-butyl aniline

名称をさらに表示

2-ブチルアニリンButylaniline2-Butylaniline>2-butylbenzeneamine(2-butylphenyl)amine2-N-BUTYLANILINE 95+%

Amino-ButylbenzoleMFCD00130033SCHEMBL44325CHEBI:190986AKOS006221873AS-56562CS-03130342-butylbenzenamine

データベース識別子

CAS: 2696-85-7
PubChem CID: 75909
DTXSID: DTXSID60181445
ChEBI: CHEBI:190986
UNII: 4V8L59L584
EC Number: 220-272-6
Nikkaji: J153.241C

物性

構造計算による物性

XLogP: 2.8
極性表面積: 26 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: 11
形式電荷: 0
複雑度: 101

実験および物理化学的性質

Kovats Retention Index · 2 件

1390

2076

物理化学的性質

沸点: 126 °C · 126 °C / 15mmHg
比重(密度): 0 · 0,95 g/cm3
屈折率: 1.536 · 1.5360-1.5390
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: clear liquid
酸解離定数(Pka): 4.27 · 4.27±0.10(Predicted)
色: Colorless to Red to Green
InChI: 1S/C10H15N/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3
InChIKey: HDVUPIFFKAHPJY-UHFFFAOYSA-N
SMILES: CCCCc1ccccc1N

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.