3-Iodo-1-methyl-1H-pyrazole

HCID 13334057

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Grundinformationen

CAS: 92525-10-5
Standard-SMILES: Cn1ccc(I)n1
InChIKey: SITJXRWLFQGWCB-UHFFFAOYSA-N
Summenformel: C4H5IN2
Durchschnittliche Molmasse: 208 g/mol
Monoisotopische Masse: 207,94975

Namen und Bezeichner

Bevorzugter Name: 3-Iodo-1-methyl-1H-pyrazole
IUPAC: 3-iodo-1-methylpyrazole
Englischer Name: 3-Iodo-1-methyl-1H-pyrazole
Summenformel: C4H5IN2
Molmasse: 208

Namen und Synonyme

3-IODO-1-METHYL-1H-PYRAZOLE92525-10-5DTXSID00537245RefChem:280011DTXCID30488034663-187-33-iodo-1-methylpyrazole1-Methyl-3-iodopyrazoleMFCD084358901H-Pyrazole, 3-iodo-1-methyl-iodo-N-methylpyrazole3-iodo-1-methyl-pyrazole

Weitere Namen anzeigen

3-idio-1-methylpyrazole3-Iodo-1-methy-1h-pyrazole3-Iodo-1-methyl-1H-pyrazole97%3-Iodo-1-methyl-1H-pyrazole 97%3-Iodo-1-methyl-pyrazole 97%min1H-?Pyrazole, 3-?iodo-?1-?methyl-

SCHEMBL104553-Iodo-1-methyl-d3-pyrazoleSCHEMBL7455562SITJXRWLFQGWCB-UHFFFAOYSA-NMFCD35057691SBB0939513-Iodo-1-methyl-1H-pyrazole, 95%AKOS005259789

Datenbank-Bezeichner

CAS: 92525-10-5
PubChem CID: 13334057
DTXSID: DTXSID00537245
EC Number: 663-187-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 66

Physikochemische Eigenschaften

Siedepunkt: 226.9 ℃ · 226.9℃
Dichte: 2.07 · 2.07
Flammpunkt: 91.1 ℃ · 91.1℃
Brechungsindex: 1.588 · 1.5880
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Liquid
pka: -0.03 · -0.03±0.10(Predicted)
Farbe: Brown
InChI: InChI=1S/C4H5IN2/c1-7-3-2-4(5)6-7/h2-3H,1H3
InChIKey: SITJXRWLFQGWCB-UHFFFAOYSA-N
SMILES: N1(C)C=CC(I)=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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.