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N-Benzylpyrrole

N-Benzylpyrrole structure

CAS No:
2051-97-0
Formula:
C11H11N
Chemical Name:
N-Benzylpyrrole
Synonyms:
1H-Pyrrole,1-(phenylmethyl)-;Pyrrole,1-benzyl-;1-(Phenylmethyl)-1H-pyrrole;1-Benzylpyrrole;N-Benzylpyrrole;NSC 116806;NSC 4024;1-Benzyl-1H-pyrrole
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White transparent liquid

N-Benzylpyrrole Basic Attributes

Molecular Weight：

157.21

Exact Mass：

157.21

EC Number：

218-137-1

NSC Number：

116806|4024

DSSTox ID：

DTXSID3062150

HScode：

2933990090

Characteristics

PSA：

4.93000

XLogP3：

2.53640

Appearance：

Colorless to brown Liquid

Density：

1.0183 g/cm³ @ Temp: 20 °C

Melting Point：

15 °C

Boiling Point：

247 °C

Flash Point：

115 °F

Refractive Index：

n20/D 1.5685(lit.)

Safety Information

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|Warning|H315 (97.44%): 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

N-Benzylpyrrole Use and Manufacturing

Manufacturing Info：

1H-Pyrrole, 1-(phenylmethyl)-: INACTIVE

Computed Properties

Molecular Weight:157.21
XLogP3:2.7
Rotatable Bond Count:2
Exact Mass:157.089149355
Monoisotopic Mass:157.089149355
Topological Polar Surface Area:4.9
Heavy Atom Count:12
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes