Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate (HCID 73828)

名称と識別子

優先名称: Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
IUPAC: methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
現地名: 3-アミノ-5,6-ジクロロピラジン-2-カルボン酸メチル
英語名: Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate
分子式: C6H5Cl2N3O2
分子量: 222.03

名称と別名

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-0DTXSID8057645Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl esterEINECS 215-947-7DTXCID9031434EC 215-947-7RefChem:815210215-947-7Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylateMFCD00010431

名称をさらに表示

3-アミノ-5,6-ジクロロピラジン-2-カルボン酸メチル3-アミノ-5,6-ジクロロ-2-ピラジンカルボン酸メチルメチル 3-アミノ-5,6-ジクロロピラジン-2-カルボキシラートSKL299TIMTEC-BB SBB003342METHYL 3-AMINO-5 6-DICHLORO-2-PYRAZINE-&methyl 6-amino-2,3-dichloropyrazine-5-carboxylateMethyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate,98%Methyl 3-aMino-5,6-dichloro-2-pyrazinecarboxylate, 98% 5GR

3-Amino-5,6-dichloro-2-pyrazinecarboxylic Acid Methyl EsterTox21_113824Methyl 3-amino-5,6-dichloropyrazinoateSY101527EN300-116878methyl 3-amino-5,6-dichloro-2-pyrazine-carboxylatmethyl 3-amino-5,6-dichloro-2-pyrazine carboxylate3-Amino-5,6-dichloro-pyrazine-2-carboxylic acid methyl ester

データベース識別子

CAS: 1458-18-0
PubChem CID: 73828
DTXSID: DTXSID8057645
ChEMBL: CHEMBL3184300
UNII: 3M7GFD6DF2
EC Number: 215-947-7
Nikkaji: J298.644B

物性

構造計算による物性

XLogP: 2.1
極性表面積: 78.1 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 204

物理化学的性質

融点: 227 · 227-230 °C
沸点: 357.3 · 357.3±37.0 °C(Predicted)
比重(密度): 1.586 · 1.586
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、ジクロロメタン（微量）、DMSO（微量）、メタノール（Sl
外見: 粉
酸解離定数(Pka): -2.74 · -2.74±0.10(Predicted)
色: 薄茶色～赤褐色
主な用途: 診断アッセイの製造血液学組織学
InChI: InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
InChIKey: USYMCUGEGUFUBI-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Cl)=C(Cl)N=C1N
LogP: 1.9 · 1.9-2.2 at 35℃
CAS データベース: 1458 · 1458-18-0(CAS DataBase Reference)

化学的性質

化学的特性light brown to red-brown powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (81.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (91.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 49 reports by companies from 6 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

Regulatory Information · 2 件

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22883

Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (91.8%)；Eye Irrit. 2 (91.8%)；Acute Tox. 4 (81.6%)；STOT SE 3 (91.8%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22883

Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
hs_code: 29339980
risk_code: 36/37/38-20/22-20
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 36/37/39-26-22-45
Hazard Classifications: Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids