2-Amino-5-bromopyrazine (HCID 599539)

名称と識別子

優先名称: 2-Amino-5-bromopyrazine
IUPAC: 5-bromopyrazin-2-amine
現地名: 2-アミノ-5-ブロモピラジン
英語名: 2-Amino-5-bromopyrazine
分子式: C4H4BrN3
分子量: 174

名称と別名

2-Amino-5-bromopyrazine59489-71-3DTXSID00344794RefChem:464537DTXCID10295869626-202-45-bromopyrazin-2-amine5-bromo-pyrazin-2-ylaminePyrazinamine, 5-bromo-MFCD002350155-Bromo-2-aminopyrazine5-bromopyrazin-2-ylamine

名称をさらに表示

2-アミノ-5-ブロモピラジン2-アミノ-5-ブロモピラジン臭化物5-ブロモ-2-ピラジンアミン2‐アミノ‐5‐ブロモピラジンBUTTPARK 29\02-915-BROMOPYRAZINAMINE2-Amino-5-bromopyraz5-Bromo-2-pyrazinamie2-aimo-5-bromopyrazine

5-Bromo-2-pyrazinamineEN300-887055-Bromo-2-pyrazinamine;2-Amino-5-bromopyrazine2-Bromo-5-aminopyrazine5-Amino-2-bromopyrazine5-bromopyrazine-2-amine2-amino-5 bromopyrazine2-amino-5-bromo-pyrazine

データベース識別子

CAS: 59489-71-3
PubChem CID: 599539
DTXSID: DTXSID00344794
ChEMBL: CHEMBL4555899
EC Number: 626-202-4
Nikkaji: J1.847.976A

物性

構造計算による物性

XLogP: 0.7
極性表面積: 51.8 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: 8
形式電荷: 0
複雑度: 77

物理化学的性質

融点: 113 · 113-117 °C (lit.)
沸点: 274.2 · 274.2±35.0 °C(Predicted)
比重(密度): 1.844 · 1.844±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: エタノール、酢酸エチル、メタノール
外見: 茶色の針
酸解離定数(Pka): 1.66 · 1.66±0.10(Predicted)
色: Light yellow to Brown
InChI: InChI=1S/C4H4BrN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8)
InChIKey: KRRTXVSBTPCDOS-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)N=C1
CAS データベース: 59489 · 59489-71-3(CAS DataBase Reference)

化学的性質

化学的特性Brown Needles

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (94.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (78.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (78.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (19.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (15.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 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 (94.2%)；Skin Irrit. 2 (98.1%)；Skin Sens. 1 (78.8%)；Eye Dam. 1 (78.8%)；Eye Irrit. 2 (19.2%)；STOT SE 3 (15.4%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 22-36/38-43-44-36/37/38-20/21/22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39-45-36/37/39-22-36/
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Used without prior protection of the amino group in a palladium-catalyzed cross-coupling with pyridylboronic acids leading to pyrazinylpyridines.

上流・下流製品情報

上流原料

N-ブロモこはく酸イミド 2-アミノピラジンジクロロメタン硫酸マグネシウム (無水)炭酸ナトリウム 2-アミノ-3,5-ジブロモピラジン 2-アミノ-3-ブロモピラジン 2-アミノ-5-ブロモピラジン-3-カルボン酸

下流製品

2,5-ジブロモピラジン 2-ブロモ-5-メトキシピラジン Cyclobutanecarbonitrile, 1-[6-(5-amino-2-pyrazinyl)-3-pyridinyl]-5-(3-THIENYL)-2-PYRAZINAMINE 5-アミノピラジン-2-ボロン酸ピナコールエステル PyrazinaMine, 5-(4-chlorophenyl)5-(4-methoxyphenyl)pyrazin-2-amine

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

2-アミノ-5-ブロモピラジン

基本情報