CAS 367-24-8 4-Bromo-2-fluoroaniline (HCID 123050)

名称と識別子

優先名称: 4-Bromo-2-fluoroaniline
IUPAC: 4-bromo-2-fluoroaniline
現地名: 4-ブロモ-2-フルオロアニリン
英語名: 4-Bromo-2-fluoroaniline
分子式: C6H5BrFN
分子量: 190.01

名称と別名

4-Bromo-2-fluoroaniline367-24-8Benzenamine, 4-bromo-2-fluoro-EINECS 206-685-4DTXSID90190141RefChem:98077DTXCID00112632206-685-4GZRMNMGWNKSANY-UHFFFAOYSA-N2-fluoro-4-bromoaniline4-bromo-2-fluoro-aniline4-bromo-2-fluorobenzenamine

名称をさらに表示

4-ブロモ-2-フルオロアニリン2-フルオロ-4-ブロモアニリン4ブロモ2フルオロアニリン4-ブロモ-2-フルオロアニリン臭化物4‐ブロモ‐2‐フルオロアニリン4-Bromo-2-fLAKOS BBS-00003609Abesili impurity 9Bromofluoroaniline44-Bromo-2-fluoroanil4-Brom-2-fluoranilinFluoro-4-bromoaniline

4-bromo-2-fluorophenylamineMFCD00010221F2190-04604-Bromo-2-fluoro-phenylamine4-bromo-2-fluoro anilineVandetanib Impurity 24-bromo-2fluoroaniline4-bromo-2 fluoroaniline

データベース識別子

CAS: 367-24-8
PubChem CID: 123050
DTXSID: DTXSID90190141
UNII: EP4Q7AMQ8Y
EC Number: 206-685-4
Nikkaji: J193.874F

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: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99

物理化学的性質

融点: 40 · 40-42 °C
沸点: 103 · 103-108 °C (13 mmHg)
比重(密度): 1.6196 · 1.6196 (rough estimate)
屈折率: 1.471 · 1.4710 (estimate)
闪点: 220 °F · 220 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 2.5 · 2.50±0.10(Predicted)
外見: 結晶塊、粉末、結晶および/またはチャンク
色: ベージュからライトブラウン、ブラウングレーまたはグレー
BRN: 2081089 · 2081089
安定性: 安定。酸塩化物、酸無水物、強酸、強酸化剤とは相容れない。
InChI: InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C=C1F
CAS データベース: 367 · 367-24-8(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Bromo-2-fluoroaniline(367-24-8)

化学的性質

化学的特性solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (14.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (92.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (90.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 54 reports by companies from 12 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

Hazard Classes and CategoriesAcute Tox. 4 (14.8%)；Acute Tox. 4 (14.8%)；Skin Irrit. 2 (92.6%)；Eye Irrit. 2 (92.6%)；Acute Tox. 4 (14.8%)；STOT SE 3 (90.7%)

安全データ

wgk: 3
ridadr: UN2811
hs_code: 29214200
risk_code: 36/37/38-20/21/22
hazard_code: Xi,T,Xn
hazard_note: Toxic
safety_code: 26-37/39-36/37/39-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用4-Bromo-2-fluoroaniline can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.