1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole

HCID 4640409
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Basic information

CAS
575452-22-1
Standard SMILES
CCOC(C)n1cc(I)cn1
InChIKey
XPDWYXNGYUFNEG-UHFFFAOYSA-N
Molecular formula
C7H11IN2O
Average molar mass
266.08 g/mol
Monoisotopic mass
265.99161097

Names & identifiers

Preferred name
1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole
IUPAC
1-(1-ethoxyethyl)-4-iodopyrazole
English name
1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole
Molecular formula
C7H11IN2O
Molecular weight
266.08

Names & synonyms

1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole575452-22-1DTXSID30405105RefChem:222474DTXCID303559591-(1-ethoxyethyl)-4-iodopyrazole1-(1-Ethoxy-ethyl)-4-iodo-1H-pyrazoleMFCD221236011H-Pyrazole, 1-(1-ethoxyethyl)-4-iodo-C7H11IN2OSCHEMBL1343572CS-D0585
Show more names
AKOS015998572DS-7434SY030204AMY345061-(1-ethoxyethyl)-4-iodo-pyrazoleA869650AYA4522AYA45222

Database identifiers

CAS
575452-22-1
PubChem CID
4640409
DTXSID
DTXSID30405105
Nikkaji
J2.207.309E

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
27.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Boiling point
74 · 74-76 °C(Press: 0.5 Torr)
Density
1.72 · 1.72±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
-0.19 · -0.19±0.10(Predicted)
Appearance
Light yellow to yellow Liquid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

hs_code
2933199090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers45 total

上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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