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1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE

1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE structure

CAS No:
39021-62-0
Formula:
C5H6N2O
Chemical Name:
1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE
Synonyms:
TIMTEC-BB SBB010122;3-METHYL-3H-IMIDAZOLE-4-CARBALDEHYDE;1-METHYLIMIDAZOLE-5-CARBOXALDEHYDE;1-METHYLIMIDAZOLE-5-CARBOXALDEYDE;1-METHYL-5-IMIDAZOLECARBOXALDEHYDE;1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE;1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE;1-Methyl-1h-imidazole-5-carbaldehyde, 90+%
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE Basic Attributes

Molecular Weight：

110.11

Exact Mass：

110.048012819 g/mol

DSSTox ID：

DTXSID30341519

HScode：

2933290090

Characteristics

PSA：

34.89000

XLogP3：

0.23260

Density：

1.14±0.1 g/cm3

Melting Point：

52-57 °C

Boiling Point：

120-130°C 2mm

Flash Point：

>110ºC

Refractive Index：

1.552

PKA：

3.87±0.10

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

22-36/37/38-43

safety instructions：

26-37/39

Marks：

Xn,Xi

Precautionary statement(s)：

P261; P280; P305 + P351 + P338

Hazard Statements：

H302; H315; H317; H319; H335

GHS Classification：

|Warning|H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:110.11
XLogP3:-0.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:110.048012819
Monoisotopic Mass:110.048012819
Topological Polar Surface Area:34.9
Heavy Atom Count:8
Complexity:94.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Methylimidazole-5-carboxaldehyde

CAS No.: 39021-62-0

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Guide of 1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-METHYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE

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