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4-Iodo-1-methyl-1H-pyrazole-5-carboxylicacidmethylester

4-Iodo-1-methyl-1H-pyrazole-5-carboxylicacidmethylester structure

CAS No:
75092-26-1
Formula:
C6H7IN2O2
Chemical Name:
4-Iodo-1-methyl-1H-pyrazole-5-carboxylicacidmethylester
Synonyms:
4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid methyl ester;4-Iodo-1-methyl-1H-pyrazole-5-Carbocylic acid methyl ester;Methyl 4-iodo-1-Methyl-1H-pyrazole-5-carboxylate;1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-, methyl ester

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4-Iodo-1-methyl-1H-pyrazole-5-carboxylicacidmethylester Basic Attributes

Molecular Weight：

266.04

Exact Mass：

265.95523 g/mol

DSSTox ID：

DTXSID10350088

Characteristics

PSA：

44.12000

XLogP3：

0.81130

Density：

1.96

Melting Point：

45-46 °C(Solv: ligroine (8032-32-4))

Boiling Point：

293℃

PKA：

-1.43±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:266.04
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:265.95523
Monoisotopic Mass:265.95523
Topological Polar Surface Area:44.1
Heavy Atom Count:11
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Iodo-1-methyl-1H-pyrazole-5-carboxylicacidmethylester

Basic Attributes
Characteristics
Safety Information
Computed Properties

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