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2,4-Dimethylpyrrole

2,4-Dimethylpyrrole structure

CAS No:
625-82-1
Formula:
C6H9N
Chemical Name:
2,4-Dimethylpyrrole
Synonyms:
1H-Pyrrole,2,4-dimethyl-;Pyrrole,2,4-dimethyl-;2,4-Dimethyl-1H-pyrrole;2,4-Dimethylpyrrole;NSC 81347;2,4-Dimethyl-1-pyrrole;2,4-Dimethyl-3H-pyrrole
Categories:
Specialty Chemicals

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Description

clear light yellow to light yellow-orange liquid

2,4-Dimethylpyrrole Basic Attributes

Molecular Weight：

95.14

Exact Mass：

95.14

EC Number：

210-912-2

UNII：

YNQ49M599X

NSC Number：

81347

DSSTox ID：

DTXSID80211551

HScode：

29339900

Characteristics

PSA：

15.8

XLogP3：

1.5

Appearance：

Colorless or pale Red liquid

Density：

0.9236 g/cm³ @ Temp: 420 °C

Melting Point：

175 °C

Boiling Point：

168 °C

Flash Point：

56.6±10.0 °C

Refractive Index：

1.517

Storage Conditions：

Refrigerator

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+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.

Drug Information

MeSH Entry Terms：

2,4-dimethylpyrrole

2,4-Dimethylpyrrole Use and Manufacturing

2,4-Dimethylpyrrole is a substituted pyrrole. Its synthesis by using ethyl acetoacetate as starting material has been reported. Its basicity has been evaluated from UV spectral data.Its photodecomposition on irradiation has been reported to afford H2, CH4, C2H6 and polymeric products.

2,4-Dimethylpyrrole may be used in the synthesis of the following:
2,5-bis(2′,4′-dimethyl-5′-pyrryl)p-benzoquinone.
boron dipyrromethene (BODIPY) dyes.
2,4-dimethyl-6-methoxyprodigiosene.

Computed Properties

Molecular Weight:95.14
XLogP3:1.5
Hydrogen Bond Donor Count:1
Exact Mass:95.073499291
Monoisotopic Mass:95.073499291
Topological Polar Surface Area:15.8
Heavy Atom Count:7
Complexity:61.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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