4-Bromo-2-(trifluoromethyl)aniline (HCID 67960)

名称と識別子

優先名称: 4-Bromo-2-(trifluoromethyl)aniline
IUPAC: 4-bromo-2-(trifluoromethyl)aniline
現地名: 2-アミノ-5-ブロモベンゾトリフルオリド
英語名: 2-Amino-5-bromobenzotrifluoride
分子式: C7H5BrF3N
分子量: 240.02

名称と別名

4-Bromo-2-(trifluoromethyl)anilineBenzenamine, 4-bromo-2-(trifluoromethyl)-4-Bromo-alpha,alpha,alpha-trifluoro-o-toluidineLY2Y65FS45EINECS 207-150-8NSC-88311DTXSID10599994-Bromo-.alpha.,.alpha.,.alpha.-trifluoro-o-toluidineRefChem:98054DTXCID0040335PHXGKHTWEOPCEW-UHFFFAOYSA-N445-02-3

名称をさらに表示

2-アミノ-5-ブロモベンゾトリフルオリド4-ブロモ-2-トリフルオロメチルアニリン2-(トリフルオロメチル)-4-ブロモアニリン4-ブロモ-2-(トリフルオロメチル)アニリン4-ブロモ-2-(トリフルオロメチル)アニリン臭化物2-アミノ-5-ブロモベンゾトリフロリド2-Amino-5-bromobenzo4-bromo-2-trifluoroaniline2-amino-5-bromotrifluorotoluene2-Amino-5-bromotrifluorobenzene4-bromo-2-(Trilfuoromethyl)aniline2-Amino-5-bromobenzotrifluoride98%2-(Trifluoromethyl)-4-bromoaniline2-Amino-5-bromobenzotrifluoride 98%

2-Amino-5-bromobenzotrifluorideMFCD000643934-Bromo-2-trifluoromethylaniline4-Bromo-2-trifluoromethyl-phenylamine2-amino-5-bromo(trifluoromethyl)benzeneNSC 883112-trifluoromethyl-4-bromoaniline4-bromo-2-trifluoromethylphenylamine

データベース識別子

CAS: 445-02-3
PubChem CID: 67960
DTXSID: DTXSID1059999
UNII: LY2Y65FS45
EC Number: 207-150-8
Nikkaji: J196.135G

物性

構造計算による物性

XLogP: 2.8
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 159

物理化学的性質

融点: 84 · 84~86℃/5mm
沸点: 84 · 84-86 °C5 mm Hg(lit.)
比重(密度): 1.71 g/mL · 1.71 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.532(lit.)
闪点: 225 °F · 225 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: clear liquid
酸解離定数(Pka): 0.76 · 0.76±0.10(Predicted)
比重: 1.71 · 1.71
色: Light yellow to Yellow to Orange
BRN: 2211504 · 2211504
InChI: 1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey: PHXGKHTWEOPCEW-UHFFFAOYSA-N
SMILES: Nc1ccc(Br)cc1C(F)(F)F
CAS データベース: 445 · 445-02-3(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzenamine, 4-bromo-2-(trifluoromethyl)-(445-02-3)
EPAの化学物質情報: 4 · 4-Bromo-2-(trifluoromethyl)aniline (445-02-3)

化学的性質

化学的特性Clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (89.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): 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 7 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 (97.9%)；Acute Tox. 4 (89.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.9%)；STOT SE 3 (87.5%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29214300
risk_code: 20/21/22-36/37/38-34
消防法: 危-4-3-III
hazard_code: Xn,Xi,C
hazard_note: Irritant
safety_code: 26-36-36/37/39-45-27
hazard_class: 6.1
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 4-bromo-2-(trifluoromethyl)-: INACTIVE

応用分野

用途有機合成原料。

使用4-Bromo-2-(trifluoromethyl)aniline has been used in the preparation of 2,5-dibromo-(trifluoromethyl)benzene and 5-bromo-2-iodo-(trifluoromethyl)benzene.