2,6-Difluoroaniline (HCID 79647)

名称と識別子

優先名称: 2,6-Difluoroaniline
IUPAC: 2,6-difluoroaniline
現地名: 2,6-ジフルオロアニリン
英語名: 2,6-Difluoroaniline
分子式: C6H5F2N
分子量: 129.11

名称と別名

2,6-Difluoroaniline5509-65-9Benzenamine, 2,6-difluoro-2,6-DIFLUOROBENZENAMINEEINECS 226-853-0NSC 127234NSC-127234943G3H8895DTXSID2073350RefChem:83226DTXCID7041835226-853-0

名称をさらに表示

2,6-ジフルオロアニリン2,6-ジフルオロベンゼンアミン2，6ジフルオロアニリン2,6‐ジフルオロアニリン2,6-Difuluoroaniline2,6-DifluorophenylaMine2,6-DifluorobenzeneaMine26DFAJACS-5509-65-96-DifluoroanilineAbesili Impurity 8

InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HODUZJBKKYBQIBX-UHFFFAOYSA-N2,6-Difluoro-phenylamineMFCD000076552,6-Difluorobenzenamine; 2,6-Difluorobenzeneamine; 2,6-Difluorophenylamine; NSC 127234;NSC1272342,6 difluoroaniline2,6-diflouroaniline

データベース識別子

CAS: 5509-65-9
PubChem CID: 79647
DTXSID: DTXSID2073350
UNII: 943G3H8895
EC Number: 226-853-0
Nikkaji: J1.837F

物性

構造計算による物性

XLogP: 1.4
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 87.1

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

LogP1.61

Physical DescriptionLiquid

物理化学的性質

沸点: 51 · 51-52 °C/15 mmHg (lit.)
比重(密度): 1.199 g/mL · 1.199 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.508(lit.)
闪点: 110 °F · 110 °F
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
溶解性: クロロホルム、酢酸エチル（微量）
外見: 液体
酸解離定数(Pka): 1.81 · 1.81±0.10(Predicted)
比重: 1.28 · 1.28
色: クリアイエロー～ブラウン
水溶解度: 水にわずかに溶ける。
BRN: 2802697 · 2802697
安定性: 吸湿性
InChI: 1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey: ODUZJBKKYBQIBX-UHFFFAOYSA-N
SMILES: Nc1c(F)cccc1F
CAS データベース: 5509 · 5509-65-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,6-Difluoroaniline(5509-65-9)
EPAの化学物質情報: 2 · 2,6-Difluoroaniline (5509-65-9)

化学的性質

化学的特性clear yellow to brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 133 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenamine, 2,6-difluoro-

Benzenamine, 2,6-difluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2,6-difluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 8-10-23
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29214210
risk_code: 10-20/21/22-36/37/38
化審法: (3)-4104
消防法: 危-4-2-III
hazard_code: Xn,Xi,F
hazard_note: Irritant
safety_code: 36-36/37/39-26-23-16-16/23/26/36/37/39-24/25
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Skin Sens. 1
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Petrochemical Manufacturing

Benzenamine, 2,6-difluoro-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用2,6-Difluoroaniline is an important chemical in the sythesis technology for high-efficiency insecticide.

使用2,6-Difluoroaniline and several related primary amines are oxidized in chloroform by peroxybenzoic acid to the corresponding nitroso compounds. For example, treatment of 2,6-difluoroaniline with sodium azide can obtain 4-fluoro-2,1,3-benzoxadiazole, and the product is nitrified to obtain 7-nitro derivatives[1]. 2,6-Difluoroaniline is an important raw material and intermediate in organic synthesis, medicine, pesticides, dyes and other fields.