4-フルオロ-N-イソプロピルアニリン

Benzenamine, 4-fluoro-N-(1-methylethyl)-

HCID 154403

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 70441-63-3
標準SMILES: CC(C)Nc1ccc(F)cc1
InChIKey: RMXBOQCXULAXBO-UHFFFAOYSA-N
分子式: C9H12FN
平均分子量: 153.2 g/mol
単同位体質量: 153.0953776

名称と識別子

優先名称: Benzenamine, 4-fluoro-N-(1-methylethyl)-
IUPAC: 4-fluoro-N-propan-2-ylaniline
現地名: 4-フルオロ-N-イソプロピルアニリン
英語名: 4-Fluoro-N-isopropylaniline
分子式: C9H12FN
分子量: 153.2

名称と別名

70441-63-3Benzenamine, 4-fluoro-N-(1-methylethyl)-4-fluoro-N-(propan-2-yl)aniline4-Fluoro-N-(1-methylethyl)benzenamineDTXSID6074675RefChem:561890DTXCID1046689448-100-7619-821-64-FLUORO-N-ISOPROPYLANILINE4-fluoro-N-propan-2-ylanilineN-Isopropyl-4-fluoroaniline

名称をさらに表示

4-フルオロ-N-イソプロピルアニリンFL-ANILINEFI-AnilineN-Isopropyl-4-fluoroaniline 95+%4-fluoro-N-isopropylbenzeneamine(4-fluorophenyl) (prop-2-yl)amineFenobucarb Impurity 1 (Isoprocarb)4-Fluor-N-(1-methylethyl)-benzenamin

MFCD002707604-fluoro-N-isopropyl-anilineN-(4-Fluorophenyl)isopropylamineN-(4-FluoropheN-(4-Fluorophenyl)-N-isopropylamineFluoro-N-isopropylaniline4fluoro-N-isopropylaniline4-fluro-N-isopropylaniline

データベース識別子

CAS: 70441-63-3
PubChem CID: 154403
DTXSID: DTXSID6074675
UNII: 6YD948689P
EC Number: 448-100-7、619-821-6
Nikkaji: J1.089.601K

物性

構造計算による物性

XLogP: 2.8
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 106

実験および物理化学的性質

PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

物理化学的性質

沸点: 214 ℃ · 214℃
比重(密度): 1.045 · 1.045
蒸気圧: 0.1 · 0.1-0.9Pa at 20-50℃
闪点: 83 ℃ · 83℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 5.91 · 5.91±0.32(Predicted)
InChI: InChI=1S/C9H12FN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey: RMXBOQCXULAXBO-UHFFFAOYSA-N
SMILES: C1(NC(C)C)=CC=C(F)C=C1
LogP: 2.3 at · 2.3 at 23℃ and pH5.59
表面張力: 56.68 mN/m · 56.68mN/m at 989.9mg/L and 20℃
EPAの化学物質情報: 4 · Benzenamine, 4-fluoro-N-(1-methylethyl)- (70441-63-3)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301+H331 (92.5%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

危険有害性情報

Regulatory InformationStatus: Active Update: 13-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5456

Hazard Classes and Categories · 2 件

Acute Tox. 3 (100%)

Acute Tox. 4 (100%)

安全データ

ridadr: 2810
hs_code: 2921490090
hazard_class: 6.1(b)
packing_group: III

化学と産業

応用分野

使用4-Fluoro-N-isopropylaniline is an intermediate used in the synthesis of Flufenacet, a herbicide.

上流・下流製品情報

上流原料

下流製品

Acetamide, 2-chloro-N-(4-fluorophenyl)-N-(1-methylethyl)-

サプライヤー100 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Alchemie Shanghai Co.,Ltd.+86-15921545397 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

化合物ノート

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