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Methyl 3-formylbenzoate

Methyl 3-formylbenzoate structure

CAS No:
52178-50-4
Formula:
C9H8O3
Chemical Name:
Methyl 3-formylbenzoate
Synonyms:
3-formyl-benzoic acid methyl ester; methyl-3-formylbenzoate; methyl 3-methanoylbenzoate; 3-methoxycarbonylbenzaldehyde; 3-carbomethoxybenzaldehyde; Methyl benzaldehyde-3-carboxylate; m-carbomethoxybenzaldehyde;Expand
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Methyl 3-formylbenzoate Basic Attributes

Molecular Weight：

164.15800

Exact Mass：

164.047344113 g/mol

DSSTox ID：

DTXSID70348623

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

1.28570

Appearance：

white crystalline powder

Density：

1.181 g/cm3

Melting Point：

48-55ºC

Boiling Point：

272.8ºC at 760 mmHg

Flash Point：

118.2ºC

Refractive Index：

1.557

Safety Information

hazard class code：

R22

safety instructions：

36/37/39-26

Marks：

GHS Classification：

|Warning|H302 (100%): 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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:164.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:164.047344113
Monoisotopic Mass:164.047344113
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methyl 3-formylbenzoate

CAS No.: 52178-50-4

Content: 99.00%

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