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4-Iodo-1-methyl-1H-pyrazole

4-Iodo-1-methyl-1H-pyrazole structure

CAS No:
39806-90-1
Formula:
C4H5IN2
Chemical Name:
4-Iodo-1-methyl-1H-pyrazole
Synonyms:
1-METHYL-4-IODO-1H-PYRAZOLE;4-IODO-1-METHYL-1H-PYRAZOLE;1-Methyl-4-iodo-1H-pyrazole,97%;1H-pyrazole, 4-iodo-1-methyl-;1-Methyl-4-iodo-1H-pyrazole, 97% 1GR;1-Methyl-4-iodopyrazole;1-Methyl-4-iodo-pyrazole;4-iodo-N-Methylpyrazole
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-Iodo-1-methyl-1H-pyrazole Basic Attributes

Molecular Weight：

208

Exact Mass：

207.94975

DSSTox ID：

DTXSID00370497

HScode：

2933199090

Characteristics

PSA：

17.82000

XLogP3：

1.02470

Appearance：

off-white semi-transparent crystals

Density：

2.07±0.1 g/cm3

Melting Point：

61-67 °C

Boiling Point：

105-106 °C(Press: 15 Torr)

Flash Point：

91.1ºC

Refractive Index：

1.681

Water Solubility：

Insoluble

PKA：

0.35±0.10

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38-41-37/38

safety instructions：

37/39-26-39

Marks：

Precautionary statement(s)：

P261; P280; P305 + P351 + P338

Hazard Statements：

H315; H318; H335

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Iodo-1-methyl-1H-pyrazole Use and Manufacturing

suzuki reaction

Computed Properties

Molecular Weight:208.00
XLogP3:0.9
Hydrogen Bond Acceptor Count:1
Exact Mass:207.94975
Monoisotopic Mass:207.94975
Topological Polar Surface Area:17.8
Heavy Atom Count:7
Complexity:66.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 39806-90-1

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Guide of 4-Iodo-1-methyl-1H-pyrazole

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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