CAS 89123-58-0 5-Bromopyrazine-2,3-diamine (HCID 2771857)

基本情報

CAS: 89123-58-0
標準SMILES: Nc1ncc(Br)nc1N
InChIKey: CPYAUFLEMLTQAA-UHFFFAOYSA-N
分子式: C4H5BrN4
平均分子量: 189.01 g/mol
単同位体質量: 187.96976

名称と識別子

優先名称: 5-Bromopyrazine-2,3-diamine
IUPAC: 5-bromopyrazine-2,3-diamine
現地名: 2,3-ジアミノ-5-ブロモピラジン
英語名: 5-Bromo-pyrazine-2,3-diamine
分子式: C4H5BrN4
分子量: 189.01

名称と別名

5-bromopyrazine-2,3-diamine89123-58-0DTXSID60378131RefChem:302065DTXCID70329159635-837-62,3-Diamino-5-bromopyrazine5-BROMO-2,3-DIAMINOPYRAZINEMFCD062455755-Bromo-pyrazine-2,3-diamine2,3-Pyrazinediamine, 5-bromo-5-Brom-2,3-pyrazindiamin

名称をさらに表示

2,3-ジアミノ-5-ブロモピラジン5-ブロモピラジン-2,3-ジアミン5-ブロモ-2,3-ジアミノピラジン5-Bromo-2,3-pyrazinediaminePyrazine, 2,3-diamino-5-bromo-5-BROMO-PYRAZINE-2,3-DIAMINE ISO 9001：2015 REACH

SCHEMBL165172SCHEMBL29912802CPYAUFLEMLTQAA-UHFFFAOYSA-NALBB-030175SBB0908732,3-Diamino-5-bromopyrazine, 97%AKOS001839472AC-7340

データベース識別子

CAS: 89123-58-0
PubChem CID: 2771857
DTXSID: DTXSID60378131
EC Number: 635-837-6

物性

構造計算による物性

XLogP: 0.1
極性表面積: 77.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 98

物理化学的性質

融点: 212 · 212-216 °C (dec.)
沸点: 357.1 · 357.1±37.0 °C(Predicted)
比重(密度): 1.956 · 1.956±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: solid
酸解離定数(Pka): 2.72 · 2.72±0.10(Predicted)
色: light brown
InChI: 1S/C4H5BrN4/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,6,8)(H2,7,9)
InChIKey: CPYAUFLEMLTQAA-UHFFFAOYSA-N
SMILES: Nc1ncc(Br)nc1N

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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 40 reports by companies from 3 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 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 2933998090
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids