1,3,5-Trimethylpyrazole

HCID 14081CAS 1072-91-9
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Grundinformationen

Standard-SMILES
Cc1cc(C)n(C)n1
InChIKey
HNOQAFMOBRWDKQ-UHFFFAOYSA-N
Summenformel
C6H10N2
Durchschnittliche Molmasse
110,16 g/mol
Monoisotopische Masse
110,08439833

Namen und Bezeichner

Bevorzugter Name
1,3,5-Trimethylpyrazole
IUPAC
1,3,5-trimethylpyrazole
Englischer Name
1,3,5-Trimethylpyrazole
Summenformel
C6H10N2
Molmasse
110.16

Namen und Synonyme

1,3,5-TRIMETHYLPYRAZOLE1072-91-91H-Pyrazole, 1,3,5-trimethyl-Pyrazole, 1,3,5-trimethyl-UNII-63938V7Z8263938V7Z82DTXSID70147951RefChem:72348DTXCID5070442626-960-6HNOQAFMOBRWDKQ-UHFFFAOYSA-N1,3,5-Trimethyl-1H-pyrazole
Weitere Namen anzeigen
AKOS PAO-1133BUTTPARK 153\57-40VITAS-BB TBB0006551,3,5,-Trimethylpyrazole,99%1,3,5-Trimethylpyrazole ,98%1,3,5,-TRIMETHYLPYRAZOLE 99%1,3,5-TriMethylpyrazole, 97+%
MFCD000155361,3,5-Trimethyl-1H-pyrazole;SCHEMBL29597SCHEMBL147208SCHEMBL293860SCHEMBL294386SCHEMBL790617orb3170274

Datenbank-Bezeichner

CAS
1072-91-9
PubChem CID
14081
DTXSID
DTXSID70147951
ChEBI
CHEBI:195104
UNII
63938V7Z82
EC Number
626-960-6
Nikkaji
J47.775C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
17,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index2197

Physikochemische Eigenschaften

Schmelzpunkt
38 · 38-41 °C (lit.)
Siedepunkt
168 · 168-170 °C
Dichte
0.93 · 0.93
Brechungsindex
1.4589 · 1.4589
Flammpunkt
93 °F · 93 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesFlam. Sol. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk
3
ridadr
UN 1325 4.1/PG 3
hs_code
29331990
risk_code
10-36/37/38
hazard_code
Xi,F
hazard_note
Flammable

Chemie und Industrie

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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