CAS 95-58-9 Pyrazine, 2-chloro-3-methyl- (HCID 66769)

名称と識別子

優先名称: Pyrazine, 2-chloro-3-methyl-
IUPAC: 2-chloro-3-methylpyrazine
現地名: 2-クロロ-3-メチルピラジン
英語名: 2-CHLORO-3-METHYLPYRAZINE
分子式: C5H5ClN2
分子量: 128.56

名称と別名

2-Chloro-3-methylpyrazine95-58-9Pyrazine, 2-chloro-3-methyl-2-Methyl-3-chloropyrazineZWK9VBZ5ZXEINECS 202-434-8NSC 41093NSC-41093DTXSID4059124RefChem:870432DTXCID7048954202-434-8

名称をさらに表示

2-クロロ-3-メチルピラジン2-メチル-3-クロロピラジン2-Chlor-3-methylpyrazin2-CHLORO-3,(5),(6)-ETHYLPYRAZINE2-CHLORO-3-METHYLPYRAZINE ISO 9001：2015 REACH

2-Chloro-3-methyl-pyrazineMFCD00023279NSC410932-chloro-3-methylpyrazin3-Chloro-2-methyl pyrazineSCHEMBL610054SCHEMBL790231SCHEMBL790756

データベース識別子

CAS: 95-58-9
PubChem CID: 66769
DTXSID: DTXSID4059124
UNII: ZWK9VBZ5ZX
EC Number: 202-434-8
Nikkaji: J29.017C

物性

構造計算による物性

XLogP: 1.1
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 76

実験および物理化学的性質

Kovats Retention Index · 2 件

951

1399

物理化学的性質

沸点: 80 °C · 80 °C(Press: 27 Torr)
比重(密度): 1.234 g/ml · 1.234g/ml
屈折率: 1.5283 · 1.5283
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -0.31 · -0.31±0.10(Predicted)
外見: 液体
色: 無色
InChI: InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChIKey: WZHWPZQQPWKEAV-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CN=C1C
LogP: 1.058 · 1.058 (est)
CAS データベース: 95 · 95-58-9(CAS DataBase Reference)
EPAの化学物質情報: 2 · Pyrazine, 2-chloro-3-methyl- (95-58-9)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): 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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 3 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

Regulatory InformationChemical: Pyrazine, 2-chloro-3-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (100%)

法規制情報

Regulatory InformationChemical: Pyrazine, 2-chloro-3-methyl-

安全データ

wgk: WGK 3
tsca: TSCA listed
hs_code: 2933119000
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationPyrazine, 2-chloro-3-methyl-: INACTIVE

応用分野

使用2-Chloro-3-methylpyrazine is a pyrazine compound in which the chlorine atom in the structure can be replaced for the preparation of other medicinal chemicals. It is used in the preparation of macrocyclic urea kinase inhibitors.