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3,5-Dimethylpyrrole-2-carboxylicacid

3,5-Dimethylpyrrole-2-carboxylicacid structure

CAS No:
4513-93-3
Formula:
C7H9NO2
Chemical Name:
3,5-Dimethylpyrrole-2-carboxylicacid
Synonyms:
BUTTPARK3618-24;TIMTEC-BBSBB005435;RARECHEMALBE1013;2-Carboxy-3,5-dimethyl-1H-pyrrole;3,5-DIMETHYLPYRROLE-2-CARBOXYLICACID;3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACID;1H-Pyrrole-2-carboxylicacid,3,5-diMethyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,5-Dimethylpyrrole-2-carboxylicacid Basic Attributes

Molecular Weight：

139.15

Exact Mass：

139.063324

DSSTox ID：

DTXSID30380105

HScode：

2933990090

Characteristics

PSA：

53.1

XLogP3：

1.3

Density：

1.2±0.1 g/cm3

Melting Point：

124-126°C

Boiling Point：

318.4°C at 760 mmHg

Flash Point：

146.4±26.5 °C

Refractive Index：

1.575

Safety Information

safety instructions：

24/25

Marks：

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 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:139.15
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:139.063328530
Monoisotopic Mass:139.063328530
Topological Polar Surface Area:53.1
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-Dimethylpyrrole-2-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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3,5-Dimethylpyrrole-2-carboxylicacid

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