基本情報
- CAS
166964-31-4- 標準SMILES
Cn1nc(-c2ccc(S(=O)(=O)Cl)s2)cc1C(F)(F)F- InChIKey
BWVNHXIGDZASCP-UHFFFAOYSA-N- 分子式
- C9H6ClF3N2O2S2
- 平均分子量
- 330.7 g/mol
- 単同位体質量
- 329.95113177
名称と識別子
- 優先名称
- 5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
- IUPAC
- 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
- 現地名
- 2-[1-メチル-5-(トリフルオロメチル)ピラゾール-3-イル]チオフェン-5-スルホニルクロリド
- 英語名
- 2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-thiophene-5-sulfonyl chloride
- 分子式
- C9H6ClF3N2O2S2
- 分子量
- 330.74
名称と別名
166964-31-45-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-thiophene-5-sulfonyl chloride5-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)thiophene-2-sulfonyl chloride5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl ChlorideMFCD000522832-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulphonyl chloride5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulphonyl chloride5-(1-methyl-5-trifluoromethyl-1h-pyrazol-3-yl)-thiophene-2-sulfonyl chloride2-[1-methyl-5-(trifluoromethyl)-1h-pyrazol-3-yl]thiophene-5-sulphonyl chlorideSCHEMBL3010846DTXSID30379650
名称をさらに表示
2-[1-メチル-5-(トリフルオロメチル)ピラゾール-3-イル]チオフェン-5-スルホニルクロリド5-[1-MethBUTTPARK 37\04-092-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulphony5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulf5-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenesulfonamide5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonyl2-[1-Methyl-3-(trifluoromethyl)pyrazole-5-yl]thiophene-5-sulfonyl Chloride2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulphonylchloride97%
AKOS0158510522-Thiophenesulfonyl chloride, 5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-BP-10618PS-10830CS-0320839F0083962-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-5-sulfonyl chloride5-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)thiophene-2-sulfonylchloride
データベース識別子
- CAS
166964-31-4- PubChem CID
- 2775671
- DTXSID
DTXSID30379650- EC Number
- 671-942-3
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 88.6 Ų
- 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
- 19
- 形式電荷
- 0
- 複雑度
- 440
物理化学的性質
- 融点
- 77 · 77-80°C
- 沸点
- 421.2 · 421.2±45.0 °C(Predicted)
- 比重(密度)
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- -2.23 · -2.23±0.10(Predicted)
- 外見
- crystalline powder
- 色
- White
安全と法規制
GHS分類
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, 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.
危険有害性情報
Hazard Classes and CategoriesSkin Corr. 1B (100%)
安全データ
- ridadr
- 3261
- hs_code
- 2934999090
- risk_code
- 34-36
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Stench
- safety_code
- 26-36/37/39
- hazard_class
- CORROSIVE
化学と産業
サプライヤー3 社
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
関連反応
2 件
化合物ノート
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