3,5-Dimethyl-4-iodo-1H-pyrazole (HCID 97115)

名称と識別子

優先名称: 3,5-Dimethyl-4-iodo-1H-pyrazole
IUPAC: 4-iodo-3,5-dimethyl-1H-pyrazole
現地名: 4-ヨード-3,5-ジメチルピラゾール
英語名: 3,5-Dimethyl-4-iodopyrazole
分子式: C5H7IN2
分子量: 222.03

名称と別名

3,5-Dimethyl-4-iodo-1H-pyrazoleRefChem:486990622-388-63,5-Dimethyl-4-iodopyrazole2033-45-64-iodo-3,5-dimethyl-1H-pyrazole4-Iodo-3,5-dimethylpyrazole1H-Pyrazole, 4-iodo-3,5-dimethyl-Pyrazole, 3,5-dimethyl-4-iodo-MFCD00040247L2H8B6U6QJNSC-100887

名称をさらに表示

3,5-ジメチル-4-ヨードピラゾール4-ヨード-3,5-ジメチルピラゾール3,5‐ジメチル‐4‐ヨードピラゾール4-ヨード-3,5-ジメチル-1H-ピラゾール3,5-ジメチル-4-ヨードピラゾール, 97%SALOR-INT L119644-1EALABOTEST-BB LT011485013,5-dimethyl-4-iodo-pyrazol3.5-Dimethyl-4-lodo pyrazole4-Iodo-3,5-dimethylpyrazole>4-IODO-3,5-DIMETHYL-1H-PYRAZOLE

NSC100887UNII-L2H8B6U6QJNCIOpen2_0067734-iodo-3,5-dimethyl pyrazole4-Iodo-3,5-dimethyl-pyrazoleSCHEMBL1205854CHEMBL5192672SCHEMBL27862930

データベース識別子

CAS: 2033-45-6
PubChem CID: 97115
DTXSID: DTXSID30174228
ChEMBL: CHEMBL5192672
UNII: L2H8B6U6QJ
EC Number: 622-388-6
Nikkaji: J1.345.163J

物性

構造計算による物性

XLogP: 1.7
極性表面積: 28.7 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 86

物理化学的性質

融点: 136 · 136-140 °C
沸点: 297.3 · 297.3±35.0 °C(Predicted)
比重(密度): 1.92 · 1.920±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 14.11 · 14.11±0.50(Predicted)
色: White to Almost white
InChI: 1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey: MZZXIXHKDJNBJQ-UHFFFAOYSA-N
SMILES: Cc1n[nH]c(C)c1I
CAS データベース: 2033 · 2033-45-6(CAS DataBase Reference)

化学的性質

化学的特性white crystalline chunks

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Danger

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.1%): 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.；There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).；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 CategoriesSkin Irrit. 2 (97.6%)；Eye Dam. 1 (95.1%)；STOT SE 3 (95.1%)

安全データ

wgk: 3
rtecs: UQ6517000
毒性: mouse,LD50,intraperitoneal,550mg/kg (550mg/kg),Farmakologiya i Toksikologiya Vol. 25, Pg. 27, 1962.
hs_code: 29331990
risk_code: 37/38-41
安衛法: 57,57-2
hazard_code: Xi
safety_code: 24/25-39-26
hazard_class: IRRITANT
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids