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Methyl 3-amino-5-phenylthiophene-2-carboxylate

Methyl 3-amino-5-phenylthiophene-2-carboxylate structure

CAS No:
100063-22-7
Formula:
C12H11NO2S
Chemical Name:
Methyl 3-amino-5-phenylthiophene-2-carboxylate
Synonyms:
TIMTEC-BB SBB005525;AKOS 91618;3-AMINO-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER;BUTTPARK 33\08-14;METHYL 3-AMINO-5-PHENYL-2-THIOPHENECARBOXYLATE;METHYL 3-AMINO-5-PHENYLTHIOPHENE-2-CARBOXYLATE;3-AMINO-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID;METHYL3-AMINO-5-(4-PHENYL)THIOPHENE-2-CARBOXYLATE
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Methyl 3-amino-5-phenylthiophene-2-carboxylate Basic Attributes

Molecular Weight：

233.29

Exact Mass：

233.051056

DSSTox ID：

DTXSID70351450

Characteristics

PSA：

80.6

XLogP3：

3.25

Appearance：

Yellow crystals

Density：

1.265±0.06 g/cm3(Predicted)

Melting Point：

147 °C

Boiling Point：

442.5±45.0 °C(Predicted)

Flash Point：

221.4±28.7 °C

Refractive Index：

1.626

Vapor Pressure：

5.01E-08mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

36/37/38-22

safety instructions：

24/25

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:233.29
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:233.05104977
Monoisotopic Mass:233.05104977
Topological Polar Surface Area:80.6
Heavy Atom Count:16
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 100063-22-7

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Guide of Methyl 3-amino-5-phenylthiophene-2-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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Methyl 3-amino-5-phenylthiophene-2-carboxylate

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