4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 673686CAS 84547-84-2
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Grundinformationen

Standard-SMILES
Cn1ncc(Br)c1C(=O)O
InChIKey
YXIJCAVZGBGUKM-UHFFFAOYSA-N
Summenformel
C5H5BrN2O2
Durchschnittliche Molmasse
205,01 g/mol
Monoisotopische Masse
203,95344

Namen und Bezeichner

Bevorzugter Name
4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC
4-bromo-1-methylpyrazole-5-carboxylic acid
Englischer Name
4-bromo-1-methylpyrazole-3-carboxy acid
Summenformel
C5H5BrN2O2
Molmasse
205.01

Namen und Synonyme

84547-84-24-bromo-1-methyl-1H-pyrazole-5-carboxylic acidDTXSID00350097RefChem:519005DTXCID20301167673-169-74-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid4-bromo-2-methylpyrazole-3-carboxylic acidMFCD004639824-bromo-1-methylpyrazole-5-carboxylic acid4-Bromo-1-methylpyrazole-3-carboxy acidTimTec1_000450
Weitere Namen anzeigen
1-Methyl-4-bromopyrazole-5-carboxylic acid4-bromo-2-methyl-3-pyrazolecarboxylic acid4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-MLS000685520SCHEMBL1357879CHEMBL1899934HMS1535E10HMS2618K16ALBB-004720SBB000440

Datenbank-Bezeichner

CAS
84547-84-2
PubChem CID
673686
DTXSID
DTXSID00350097
ChEMBL
CHEMBL1899934
EC Number
673-169-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
55,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
235 · 235-236 °C
Siedepunkt
347.4 · 347.4±27.0 °C(Predicted)
Dichte
1.93 · 1.93±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
1.75 · 1.75±0.37(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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

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

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hazard_class
IRRITANT

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

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