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1-Methylpyrrole

1-Methylpyrrole structure

CAS No:
96-54-8
Formula:
C5H7N
Chemical Name:
1-Methylpyrrole
Synonyms:
1H-Pyrrole,1-methyl-;Pyrrole,1-methyl-;1-Methyl-1H-pyrrole;N-Methylpyrrole;1-Methylpyrrole;NSC 65440
Categories:
Analytical Chemistry > Standard

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Description

clear yellow to light brown liquid

1-Methylpyrrole is a member of pyrroles.

1-Methylpyrrole Basic Attributes

Molecular Weight：

81.12

Exact Mass：

81.12

BRN：

104181

EC Number：

202-513-7

UNII：

NG5GPN98ZG

NSC Number：

65440

DSSTox ID：

DTXSID3052648

HScode：

29339990

Characteristics

PSA：

4.9

XLogP3：

1.2

Appearance：

yellow-brown liquid

Density：

0.9096 g/cm³ @ Temp: 20 °C

Melting Point：

−57 °C(lit.)

Boiling Point：

115 °C

Flash Point：

59 °F

Refractive Index：

1.484

Water Solubility：

soluble in organic solvents such as alcohol and so on, but insoluble in water.

Storage Conditions：

2-8°C

Vapor Pressure：

15 mm Hg ( 20.2 °C)

Vapor Density：

2.8 (vs air)

Toxicity：

LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg

Explosive limit：

1.4-8.5%(V)

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

11-36/37/38-37/38-22

safety instructions：

16-26-36-37-25-23

RTECS Number：

UX9640000

Marks：

F,Xi,Xn

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

GHS Classification：

|Warning|H302 (89.94%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1521 companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-methylpyrrole

1-Methylpyrrole Use and Manufacturing

Uses

Can be used as raw materials for organic synthesis, widely used as pharmaceutical intermediates and organic solvents

Manufacturing Info：

1H-Pyrrole, 1-methyl-: ACTIVE

Computed Properties

Molecular Weight:81.12
XLogP3:1.2
Exact Mass:81.057849228
Monoisotopic Mass:81.057849228
Topological Polar Surface Area:4.9
Heavy Atom Count:6
Complexity:37.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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