1-(4-ニトロフェニル)-3-メチル-5-ピラゾロン

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-

HCID 80816CAS 6402-09-1
部分構造検索類似構造を探す

基本情報

標準SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1
InChIKey
MYPAMGFTHVEING-UHFFFAOYSA-N
分子式
C10H9N3O3
平均分子量
219.2 g/mol
単同位体質量
219.06439116

名称と識別子

優先名称
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-
IUPAC
5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one
現地名
1-(4-ニトロフェニル)-3-メチル-5-ピラゾロン
英語名
1-(4-Nitrophenyl)-3-methyl-5-pyrazolone
分子式
C10H9N3O3
分子量
219.2

名称と別名

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-2-Pyrazolin-5-one, 3-methyl-1-(p-nitrophenyl)-3-Methyl-1-(4-nitrophenyl)-5-pyrazoloneAI3-61060DTXSID7064312EINECS 229-018-9NSC 15353RefChem:505779DTXCID30441782-Pyrazolin-5-one, 3-methyl-1-(p-nitrophenyl)-(8CI)229-018-96402-09-1
名称をさらに表示
1-(4-ニトロフェニル)-3-メチル-5-ピラゾロン1-(4-ニトロフェニル)-3-メチル-1H-ピラゾール-5(4H)-オン3-メチル-1-(p-ニトロフェニル)-5(4H)-ピラゾロン2,4-ジヒドロ-5-メチル-2-(4-ニトロフェニル)-3H-ピラゾール-3-オン2-(4-ニトロフェニル)-5-メチル-2,4-ジヒドロ-3H-ピラゾール-3-オン1-(4-ニトロフェニル)-3-メチル-2-ピラゾリン-5-オン1-(4-ニトロフェニル)-3-メチル-5(4H)-ピラゾロン3-メチル-1-(4-ニトロフェニル)-5-ピラゾロンCOUPLER 2BAKOS AUF21111-(P-NITROPHENYL)-3-METHYL-5-PYRAZOLONE1-(4-Nitrophenyl)-3-methyl-5-pyrazolone1-(4-Nitrophenyl)-3-methyl-5-pyrazolone>3-Methyl-1-(p-nitrophenyl)-5(4H)-pyrazolone1-(4-Nitrophenyl)-3-methyl-5(4H)-pyrazolone5-methyl-2-(4-nitrophenyl)-3-pyrazol-2-iumone
5-Methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-oneMFCD00020751MLS0026384253-methyl-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-oneNSC-153531-(4-nitrophenyl)-3-methyl-2-pyrazolin-5-one3-methyl-1-(4-nitrophenyl)-2-pyrazolin-5-one

データベース識別子

CAS
6402-09-1
PubChem CID
80816
DTXSID
DTXSID7064312
ChEMBL
CHEMBL220283
UNII
B9SDZ9U3E8
EC Number
229-018-9
Nikkaji
J40.181A

物性

構造計算による物性

XLogP
1.1
極性表面積
78.5 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
1
重原子数
16

物理化学的性質

融点
220 · 220-225 °C
沸点
360 °C · 360°C (rough estimate)
比重(密度)
1.3284 · 1.3284 (rough estimate)
屈折率
1.483 · 1.4830 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
外見
powder to crystal

化学的性質

化学的特性yellow to brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 15.6% (7 of 45) of reports.

Warning

H302 (84.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (84.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 7 of 45 reports by companies.；There is 1 notification provided by 38 of 45 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

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25605
Hazard Classes and CategoriesAcute Tox. 4 (84.4%)；Skin Sens. 1 (84.4%)

法規制情報

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25605

安全データ

tsca
TSCA listed
hs_code
2933.19.4300
risk_code
22
hazard_code
Xn

化学と産業

用途と製造

General Manufacturing Information3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-: INACTIVE

上流・下流製品情報

サプライヤー45 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

関連反応

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