3-Methyl-1-(4-nitrophenyl)-5-pyrazolon

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

HCID 80816CAS 6402-09-1

Grundinformationen

Standard-SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1
InChIKey
MYPAMGFTHVEING-UHFFFAOYSA-N
Summenformel
C10H9N3O3
Durchschnittliche Molmasse
219,2 g/mol
Monoisotopische Masse
219,06439116

Namen und Bezeichner

Bevorzugter Name
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-
IUPAC
5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one
Lokaler Name
3-Methyl-1-(4-nitrophenyl)-5-pyrazolon
Englischer Name
1-(4-Nitrophenyl)-3-methyl-5-pyrazolone
Summenformel
C10H9N3O3
Molmasse
219.2

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
78,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
16

Physikochemische Eigenschaften

Schmelzpunkt
220 · 220-225 °C
Siedepunkt
360 °C · 360°C (rough estimate)
Dichte
1.3284 · 1.3284 (rough estimate)
Brechungsindex
1.483 · 1.4830 (estimate)
storage temp.
Sealed in dry,Room Temperature
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

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%)

Regulatorische Informationen

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

Sicherheitsdaten

tsca
TSCA listed
hs_code
2933.19.4300
risk_code
22
hazard_code
Xn

Chemie und Industrie

Verwendung und Herstellung

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

Anbieter45 Anbieter

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]

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