4-Bromo-2,6-xylidine (HCID 90549)

名称と識別子

優先名称: 4-Bromo-2,6-xylidine
IUPAC: 4-bromo-2,6-dimethylaniline
現地名: 4-ブロモ-2,6-ジメチルアニリン
英語名: 4-Bromo-2,6-dimethylaniline
分子式: C8H10BrN
分子量: 200.08

名称と別名

24596-19-84-Bromo-2,6-xylidine4-bromo-2,6-dimethylbenzenamineEINECS 246-337-9DTXSID40179345NSC 227944RefChem:519161DTXCID70101836246-337-9InChI=1/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H4-Bromo-2,6-dimethylanilineBenzenamine, 4-bromo-2,6-dimethyl-

名称をさらに表示

4-ブロモ-2,6-ジメチルアニリン2,6-ジメチル-4-ブロモアニリン4-ブロモ-2,6-ジメチルベンゼンアミン2，6‐ジメチル‐4‐ブロモアニリン4-ブロモ-2,6-キシリジン4‐ブロモ‐2,6‐ジメチルアニリン6-diMethylanilineTIMTEC-BB SBB0024104-Bromo-2,6-dimethylLABOTEST-BB LT011432222,6-Xylidine, 4-bromo-4-broMo-2,6-deMethylaniline

2,6-Dimethyl-4-bromoaniline4-Bromo-2,6-dimethyl-phenylamine4-bromo-2,6-dimethylphenylamineMFCD000078264-bromo-2,6-dimethyl-aniline9W5K8J5F6BCS-W019870NSC-227944

データベース識別子

CAS: 24596-19-8
PubChem CID: 90549
DTXSID: DTXSID40179345
UNII: 9W5K8J5F6B
EC Number: 246-337-9
Nikkaji: J236.723H

物性

構造計算による物性

XLogP: 2.7
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 104

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

物理化学的性質

融点: 48 · 48-51 °C (lit.)
沸点: 120 °C · 120°C 0,2mm
比重(密度): 1.4423 · 1.4423 (rough estimate)
屈折率: 1.5748 · 1.5748 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム、メタノール
酸解離定数(Pka): 3.6 · 3.60±0.10(Predicted)
外見: 液体
色: クリアイエローからオレンジ、アンバー
BRN: 1936300 · 1936300
InChI: InChI=1S/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
InChIKey: QGLAYJCJLHNIGJ-UHFFFAOYSA-N
SMILES: C1(N)=C(C)C=C(Br)C=C1C
CAS データベース: 24596 · 24596-19-8(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzenamine, 4-bromo-2,6-dimethyl-(24596-19-8)

化学的性質

化学的特性brown crystals

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 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. 4 (18.4%)

安全データ

F: 8-10-23
wgk: 3
ridadr: UN2811/6.1/III
hs_code: 29214990
risk_code: 38-43-36/37/38-20/21/22
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 36/37-36/37/39-26
hazard_class: 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 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

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用4-Bromo-2,6-dimethylaniline has been used in the preparation of:4-bromo-N-(1-(6-(1-isopropyl-1H-benzo[d]imidazol-2-yl)pyridin-2-yl)ethylidene)-2,6-dimethylbenzenamineN-(4-Bromo-2,6-dimethylphenyl)-5-trimethylammoniumsalicylaldimine chlorideethynyl-functionalized persistent perylene diimide-multichromophore