2-クロロ-5-フェニルピラジン

2-Chloro-5-phenylpyrazine

HCID 1236664CAS 25844-73-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1cnc(-c2ccccc2)cn1
InChIKey: IKWXPYFPNVAWJY-UHFFFAOYSA-N
分子式: C10H7ClN2
平均分子量: 190.63 g/mol
単同位体質量: 190.0297759

名称と識別子

優先名称: 2-Chloro-5-phenylpyrazine
IUPAC: 2-chloro-5-phenylpyrazine
現地名: 2-クロロ-5-フェニルピラジン
英語名: 2-CHLORO-5-PHENYL-PYRAZINE
分子式: C10H7ClN2
分子量: 190.63

名称と別名

2-chloro-5-phenylpyrazine25844-73-9DTXSID60361245RefChem:259009DTXCID80312294842-634-82-Chloro-5-phenyl-pyrazineMFCD032685855-chloro-2-phenylpyrazine2-chloro-5--phenylpyrazineSCHEMBL3633100SCHEMBL28477929

名称をさらに表示

2-クロロ-5-フェニルピラジンC90108RMA02415Pyrazine, 2-chloro-5-phenyl-

SCHEMBL30495464IKWXPYFPNVAWJY-UHFFFAOYSA-NABA84473SBB091199AKOS0052559962-Chloro-5-phenylpyrazine, AldrichCPRAT31228MS-20135

データベース識別子

CAS: 25844-73-9
PubChem CID: 1236664
DTXSID: DTXSID60361245
EC Number: 842-634-8
Nikkaji: J1.175.396E

物性

構造計算による物性

XLogP: 2.4
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: 1
重原子数: 13
形式電荷: 0
複雑度: 157

物理化学的性質

融点: 97 · 97-98 °C(Solv: hexane (110-54-3))
沸点: 296.8 · 296.8±35.0 °C(Predicted)
比重(密度): 1.245 · 1.245±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -1.78 · -1.78±0.10(Predicted)
外見: solid
InChI: 1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: IKWXPYFPNVAWJY-UHFFFAOYSA-N
SMILES: ClC1=NC=C(C2=CC=CC=C2)N=C1

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]；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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

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

安全データ

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 41
safety_code: 26-39
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects