CAS 175137-36-7 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride (HCID 2775746)

基本情報

CAS: 175137-36-7
標準SMILES: O=C(Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F
InChIKey: PDHQPPLHVFKVOQ-UHFFFAOYSA-N
分子式: C11H5ClF3N3O3
平均分子量: 319.62 g/mol
単同位体質量: 318.99715336

名称と識別子

優先名称: 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
IUPAC: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
現地名: 1-(4-ニトロフェニル)-5-(トリフルオロメチル)ピラゾール-4-カルボニルクロリド
英語名: 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
分子式: C11H5ClF3N3O3
分子量: 319.62

名称と別名

175137-36-71-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chlorideDTXSID50379677RefChem:225540DTXCID503307031-(4-nitrophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carbonyl chlorideMFCD001738661-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarbonyl chlorideSCHEMBL3056519SBB0013101H-Pyrazole-4-carbonyl chloride, 1-(4-nitrophenyl)-5-(trifluoromethyl)-AKOS015833470

名称をさらに表示

1-(4-ニトロフェニル)-5-(トリフルオロメチル)ピラゾール-4-カルボニルクロリド塩化1-(4-ニトロフェニル)-5-(トリフルオロメチル)ピラゾール-4-カルボニルBUTTPARK 99\06-34TIMTEC-BB SBB0013101-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonylchloride97%1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL) PYRAZOLE-N 4-CARBONYL CHLORIDE1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride 97%1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride , 95%+

PS-10700DB-004035F0084025-(trifluoromethyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carbonyl chloride

物性

構造計算による物性

XLogP: 3.1
極性表面積: 80.7 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 21
形式電荷: 0
複雑度: 421

物理化学的性質

融点: 77 · 77-79°C
沸点: 421.8 · 421.8±45.0 °C(Predicted)
比重(密度): 1 · 1+-.0.1 g/cm3(Predicted)
酸解離定数(Pka): -8.09 · -8.09±0.10(Predicted)
CAS データベース: 175137 · 175137-36-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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.