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diethyl 1-[4-[4-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]phenyl]phenyl]-2,5-dimethylpyrrole-3,4-dicarboxylate

diethyl 1-[4-[4-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]phenyl]phenyl]-2,5-dimethylpyrrole-3,4-dicarboxylate structure

CAS No:
56913-55-4
Formula:
C36H40N2O8
Chemical Name:
diethyl 1-[4-[4-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]phenyl]phenyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
Synonyms:
Tetraethyl 1,1'-(1,1'-biphenyl-4,4'-diyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate);

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diethyl 1-[4-[4-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]phenyl]phenyl]-2,5-dimethylpyrrole-3,4-dicarboxylate Basic Attributes

Molecular Weight：

628.71100

Exact Mass：

628.27846624

DSSTox ID：

DTXSID50407505

Characteristics

PSA：

115.06000

XLogP3：

6.87540

Density：

1.19g/cm3

Melting Point：

215-218ºC

Boiling Point：

688.4ºC

Flash Point：

370.1ºC

Refractive Index：

1.573

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36

Marks：

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:628.7
XLogP3:6.8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:628.27846624
Monoisotopic Mass:628.27846624
Topological Polar Surface Area:115
Heavy Atom Count:46
Complexity:911
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of diethyl 1-[4-[4-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]phenyl]phenyl]-2,5-dimethylpyrrole-3,4-dicarboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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