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4-(1H-PYRROL-1-YL)BENZOICACID

4-(1H-PYRROL-1-YL)BENZOICACID structure

CAS No:
22106-33-8
Formula:
C11H9NO2
Chemical Name:
4-(1H-PYRROL-1-YL)BENZOICACID
Synonyms:
4-PYRROL-1-YL-BENZOIC ACID;4-(1H-PYRROL-1-YL)BENZOIC ACID;4-(1-PYRROLO)BENZOIC ACID;OTAVA-BB BB7020410154;TIMTEC-BB SBB003691;RARECHEM AL BO 0737;BUTTPARK 98\12-83;4-(1-Pyrrolyl)benzoic acid, 99%
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(1H-PYRROL-1-YL)BENZOICACID Basic Attributes

Molecular Weight：

187.19

Exact Mass：

187.063328530

DSSTox ID：

DTXSID00371949

Characteristics

Density：

1.18±0.1 g/cm3

Melting Point：

286-289 °C (lit.)

Boiling Point：

355.5±25.0 °C(Predicted)

PKA：

3.83±0.10

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

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 199 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:187.19
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:42.2
Heavy Atom Count:14
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1H-PYRROL-1-YL)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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