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1-Allylimidazole

1-Allylimidazole structure

CAS No:
31410-01-2
Formula:
C6H8N2
Chemical Name:
1-Allylimidazole
Synonyms:
1H-Imidazole,1-(2-propen-1-yl)-;Imidazole,1-allyl-;1H-Imidazole,1-(2-propenyl)-;1-(2-Propen-1-yl)-1H-imidazole;N-Allylimidazole;1-Allylimidazole;1-(Prop-2-enyl)-1H-imidazole;1-Allyl-1H-imidazole;1-Prop-2-enylimidazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

1-Allylimidazole Basic Attributes

Molecular Weight：

108.14

Exact Mass：

108.14

BRN：

605953

EC Number：

250-618-1

UNII：

M6Y3FS79AQ

DSSTox ID：

DTXSID30185339

HScode：

2933290090

Characteristics

PSA：

17.82000

XLogP3：

0.14

Appearance：

Yellow to orange Viscous Liquid At 25°C

Density：

0.9±0.1 g/cm3

Boiling Point：

40-42 °C0.1 mm Hg(lit.)

Flash Point：

214 °F

Refractive Index：

1.512

Water Solubility：

It is soluble in water.

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container. Corrosives area.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3267 8/PG 2

wgk germany：

hazard class code：

22-34

safety instructions：

26-36/37/39-45-25

Marks：

Precautionary statement(s)：

P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, 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:108.14
XLogP3:0.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:108.068748264
Monoisotopic Mass:108.068748264
Topological Polar Surface Area:17.8
Heavy Atom Count:8
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes