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Methyl2-formylbenzoate

Methyl2-formylbenzoate structure

CAS No:
4122-56-9
Formula:
C9H8O3
Chemical Name:
Methyl2-formylbenzoate
Synonyms:
METHYL2-FORMYLBENZOATE;2-CARBOMETHOXYBENZALDEHYDE;Methyl2-formylbenzoate,97%;2-FORMYLBENZOICACIDMETHYLESTER;Phthalaldehydicacidmethylester;METHYL2-FORMYLBENZENECARBOXYLATE;Benzoicacid,2-formyl-,methylester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Light yellow liquid

Methyl2-formylbenzoate Basic Attributes

Molecular Weight：

164.16

Exact Mass：

164.047348

NSC Number：

52152

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

1.2

Appearance：

pale yellow solid.

Density：

1.2±0.1 g/cm3

Melting Point：

50 °C

Boiling Point：

88 °C

Flash Point：

122.2±22.7 °C

Refractive Index：

1.558

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38-20/21/22

safety instructions：

24/25-36/37/39-26

Marks：

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 (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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:164.16
XLogP3:1.2
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

Synthesis Route

106515-78-0

7115-18-6

106515-78-0

7115-18-6

106515-79-1