CAS 1821-39-2 2-Propylaniline (HCID 15759)

名称と識別子

優先名称: 2-Propylaniline
IUPAC: 2-propylaniline
現地名: 2-プロピルアニリン
英語名: 2-Propylaniline
分子式: C9H13N
分子量: 135.21

名称と別名

2-PropylanilineBenzenamine, 2-propyl-o-Propylaniline2-PROPYL-ANILINEANILINE, 2-PROPYL-2-Propylbenzenamineo-Aminopropylbenzene1-Amino-2-propylbenzeneAniline, o-propyl-EINECS 217-346-5UNII-KDP5MSE5C0BRN 0636589

名称をさらに表示

2-プロピルアニリンo-プロピルアニリン2-プロピルベンゼンアミン2-N-PROPYLANILINE2-propyl-anilino-propyl-anilin2-Propylaniline>2-propylbenzenamine2-propyl-benzenamin

WKURVXXDGMYSDP-UHFFFAOYSA-DTXSID401712484-12-00-02580 (Beilstein Handbook Reference)oPropylaniline2nPropylanilineAniline, opropyl2PropylbenzenamineAniline, 2propyl

データベース識別子

CAS: 1821-39-2
PubChem CID: 15759
DTXSID: DTXSID40171248
UNII: KDP5MSE5C0
EC Number: 217-346-5
Nikkaji: J55.231C

物性

構造計算による物性

XLogP: 2.3
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: 2
重原子数: 10
形式電荷: 0
複雑度: 90

実験および物理化学的性質

Physical DescriptionYellow to brown liquid; [MSDSonline]

Kovats Retention Index · 2 件

1299

1975

物理化学的性質

融点: -6.87 °C · -6.87°C (estimate)
沸点: 222 · 222-224 °C (lit.)
比重(密度): 0.96 g/mL · 0.96 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.547(lit.)
闪点: 208 °F · 208 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: clear liquid
酸解離定数(Pka): 4.06 · 4.06±0.10(Predicted)
色: Colorless to Light yellow
InChI: 1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
InChIKey: WKURVXXDGMYSDP-UHFFFAOYSA-N
SMILES: CCCc1ccccc1N
CAS データベース: 1821 · 1821-39-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2-propyl-(1821-39-2)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 41 reports by companies from 4 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.

危険有害性情報

Hazards SummaryHarmful by inhalation, skin absorption, and ingestion; [MSDSonline] See N-Ethylaniline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

安全データ

wgk: 3
rtecs: BY8300000
hs_code: 2921490090
risk_code: 36/37/38-20/21/22
化審法: (3)-206
消防法: 危-4-3-III
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

一般的な説明Electropolymerization of 2-propylaniline in highly acidic medium yields poly(2-propylaniline) film. Polymerization and intercalation of 2-propylaniline into iron (III) oxychloride via in situ polymerization/intercalation process has been reported.