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methyl 4-thiophen-3-ylbenzoate

methyl 4-thiophen-3-ylbenzoate structure

CAS No:
20608-91-7
Formula:
C12H10O2S
Chemical Name:
methyl 4-thiophen-3-ylbenzoate
Synonyms:
4-(thien-3-yl)benzoic acid methyl ester; Methyl 4-(3-thienyl)benzoate; Methyl 4-(thien-3-yl)benzoate; 4-thiophen-3-yl-benzoic acid methyl ester; Methyl 4-(thiophen-3-yl)benzoate;

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methyl 4-thiophen-3-ylbenzoate Basic Attributes

Molecular Weight：

218.27200

Exact Mass：

218.04015073

DSSTox ID：

DTXSID10399654

HScode：

2934999090

Characteristics

PSA：

54.54000

XLogP3：

3.20170

Density：

1.198g/cm3

Melting Point：

160-164ºC(lit.)

Boiling Point：

310.8ºC at 760mmHg

Flash Point：

141.8ºC

Refractive Index：

1.584

Vapor Pressure：

0.000585mmHg at 25°C

Safety Information

hazard class code：

R22; R41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P280; P305 + P351 + P338

Hazard Statements：

H302; H318

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, 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:218.27
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:218.04015073
Monoisotopic Mass:218.04015073
Topological Polar Surface Area:54.5
Heavy Atom Count:15
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 4-thiophen-3-ylbenzoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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