4-ブロモ-1-エチルピラゾール

4-Bromo-1-ethyl-1H-pyrazole

HCID 12565201

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 71229-85-1
標準SMILES: CCn1cc(Br)cn1
InChIKey: IPMSARLBJARXSC-UHFFFAOYSA-N
分子式: C5H7BrN2
平均分子量: 175.03 g/mol
単同位体質量: 173.97926

名称と識別子

優先名称: 4-Bromo-1-ethyl-1H-pyrazole
IUPAC: 4-bromo-1-ethylpyrazole
現地名: 4-ブロモ-1-エチルピラゾール
英語名: 4-Bromo-1-ethyl-1H-pyrazole
分子式: C5H7BrN2
分子量: 175.03

名称と別名

4-bromo-1-ethyl-1H-pyrazole71229-85-1DTXSID10502742RefChem:290477DTXCID00453552690-424-84-bromo-1-ethylpyrazole1H-Pyrazole, 4-bromo-1-ethyl-MFCD082352521H-Pyrazole,4-bromo-1-ethyl-AKOS000302004CS-W003481

名称をさらに表示

4-ブロモ-1-エチルピラゾール4-ブロモ-1-エチル-1H-ピラゾールAlbb-0044311-ethyl-4-bromoimazole-Bromo-1-ethylpyrazole4-Bromo-1-ethyl-1H-pyrazole 95+%4-bromo-1-ethyl-1H-pyrazole(SALTDATA: FREE)

AB43826AS-19722EN300-55896F8882-40604-Bromo-1-ethyl(d5)-1H-pyrazole4-bromo-1-etA9342AM20100672

データベース識別子

CAS: 71229-85-1
PubChem CID: 12565201
DTXSID: DTXSID10502742
EC Number: 690-424-8

物性

構造計算による物性

XLogP: 1.2
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 76

物理化学的性質

沸点: 108 °C/20mmHg · 108°C/20mmHg(lit.)
比重(密度): 1.57 · 1.57±0.1 g/cm3(Predicted)
屈折率: 1.517 to · 1.5170 to 1.5210
貯蔵温度: 2 · 2-8°C
外見: clear liquid
酸解離定数(Pka): 0.23 · 0.23±0.10(Predicted)
色: Light orange to Yellow to Green
InChI: InChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChIKey: IPMSARLBJARXSC-UHFFFAOYSA-N
SMILES: N1(CC)C=C(Br)C=N1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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 2 reports by companies from 2 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.