４-ブロモ-2,5-ジフルオロアニリン

4-Bromo-2,5-difluoroaniline

HCID 2773285

ノート反応

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基本情報

CAS: 112279-60-4
標準SMILES: Nc1cc(F)c(Br)cc1F
InChIKey: XOYHFIQPPOJMFK-UHFFFAOYSA-N
分子式: C6H4BrF2N
平均分子量: 208 g/mol
単同位体質量: 206.94951767

名称と識別子

優先名称: 4-Bromo-2,5-difluoroaniline
IUPAC: 4-bromo-2,5-difluoroaniline
現地名: ４-ブロモ-2,5-ジフルオロアニリン
英語名: 4-Bromo-2,5-difluoroaniline
分子式: C6H4BrF2N
分子量: 208

名称と別名

4-Bromo-2,5-difluoroaniline112279-60-4DTXSID00378337RefChem:290578DTXCID00329364625-718-74-bromo-2,5-difluoro-phenylamineMFCD018611254-bromo-2,5-difluoro-anilineSCHEMBL2759634-bromo-2,5-difluorophenylamine4-Bromo-2,5-difluoroaniline, 97%

名称をさらに表示

４-ブロモ-2,5-ジフルオロアニリン4-broMo-2,5-difluorobenzenaMine2,5-Difluoro-4-bromoaniline4-Bromo-2,5-difluoroaniline98%4-Bromo-2,5-difluoroaniline >4-Bromo-2,5-difluoroaniline 98%Benzenamine, 4-bromo-2,5-difluoro-4-BROMO-2,5-DIFLUOROANILINE ISO 9001：2015 REACH4-bromo-2,5-difluorophenylamine,4-BroMo-2,5-difluoroaniline,4-Amino-2,5-difluorobromobenzene,4-Bromo-2,5-difluorobenzenamine

AKOS005254447AC-9661SB78176EN300-111940AM61733A19784A802600SCHEMBL29365100

データベース識別子

CAS: 112279-60-4
PubChem CID: 2773285
DTXSID: DTXSID00378337
EC Number: 625-718-7
Nikkaji: J2.638.935F

物性

構造計算による物性

XLogP: 2.1
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: 10
形式電荷: 0
複雑度: 122

物理化学的性質

融点: 74 · 74-78 °C (lit.)
沸点: 212.1 · 212.1±35.0 °C(Predicted)
比重(密度): 1.788 · 1.788±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 1.48 · 1.48±0.10(Predicted)
色: White to Light yellow
BRN: 4741102 · 4741102
InChI: InChI=1S/C6H4BrF2N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey: XOYHFIQPPOJMFK-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=C(Br)C=C1F
CAS データベース: 112279 · 112279-60-4(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (85.1%)

安全データ

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29214200
risk_code: 25-36/37/38
hazard_code: T,Xi
safety_code: 28-45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects