4-Bromo-3-fluoroaniline (HCID 821848)

名称と識別子

優先名称: 4-Bromo-3-fluoroaniline
IUPAC: 4-bromo-3-fluoroaniline
現地名: 4-ブロモ-3-フルオロアニリン
英語名: 3-Fluoro-4-broMoaniline
分子式: C6H5BrFN
分子量: 190.01

名称と別名

4-Bromo-3-fluoroaniline656-65-5DTXSID00356332RefChem:290849DTXCID70307391628-120-44-Bromo-3-fluorophenylamine3-fluoro-4-bromoaniline4-BROMO-3-FLUORO ANILINE4-bromo-3-fluorobenzenamineMFCD00672933Benzenamine, 4-bromo-3-fluoro-

名称をさらに表示

4-ブロモ-3-フルオロアニリン3‐フルオロ‐4‐ブロモアニリン4-ブロモ-3-フルオロアニリン臭化物4‐ブロモ‐3‐フルオロアニリン3-フルオロ-4-ブロモアニリン4-Bromo-3-fluoroanil3-Fluoro-4-broMoanilin4-Bromo-3-fluoroaniline98%4-Bromo-3-fluoroaniline >4-BroMo-3-fluoroaniline, 97+%4 - broMine - 3 - fluoro aniline

4-bromo-3-fluoro-aniline4-Bromo-3-fluoro-phenylamineTedizolid Impurity AAKOS005258570CS-W008647AC-3655PS-8398B2102

データベース識別子

CAS: 656-65-5
PubChem CID: 821848
DTXSID: DTXSID00356332
UNII: RTR8SB3SWD
EC Number: 628-120-4
Nikkaji: J2.616.810D

物性

構造計算による物性

XLogP: 2
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: 72 · 72-73°C
沸点: 65 · 65-68 °C (lit.)
比重(密度): 0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.471(lit.)
闪点: 105 °F · 105 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: アセトニトリル、メタノール
外見: 結晶性粉末
酸解離定数(Pka): 2.88 · 2.88±0.10(Predicted)
色: 黄色から黄褐色
水溶解度: アセトニトリル、メタノールに可溶。水に不溶。
BRN: 3236457 · 3236457
InChI: InChI=1S/C6H5BrFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey: YTMVYYAKOPIJCZ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C(F)=C1
CAS データベース: 656 · 656-65-5(CAS DataBase Reference)

化学的性質

化学的特性Beige to brown needles and crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): 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 48 reports by companies from 8 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 (10.4%)；Acute Tox. 4 (10.4%)；Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；Acute Tox. 4 (10.4%)；STOT SE 3 (95.8%)

安全データ

wgk: 3
ridadr: UN2811
hs_code: 29214200
risk_code: 36/37/38
hazard_code: Xi,T,Xn
hazard_note: Toxic
safety_code: 26-36
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-3-fluoroaniline is a intermediate used for the synthetic preparation of Tradizolid and various pharmaceuticals such as the synthesis of several lateral difluoro-substituted 4,4"-dialkyl- and 4 ,4"-alkoxyalkylterphenyls.