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4-Methylsulphonylbenzaldehyde

4-Methylsulphonylbenzaldehyde structure

CAS No:
5398-77-6
Formula:
C8H8O3S
Chemical Name:
4-Methylsulphonylbenzaldehyde
Synonyms:
4-Mesylbenzaldehyde;TIMTEC-BB SBB005572;4-Methylsulphonyl be;P-MethylsufonylBenzaldehyde;4-(Methylsulfonyl)benaldehyde;Of thiaMphenicol benzaldehyde;4-METHANESULFONYL-BENZALDEHYDE;4-METHYLSULPHONYL BENZALDEHYDE;4-(METHYLSULFONYL)BENZALDEHYDE;p-methylsulphonyl benzaldehyde
Categories:
Organic Chemistry > Aldehydes

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Description

light yellow-beige to light brown crystalline

4-Methylsulphonylbenzaldehyde Basic Attributes

Molecular Weight：

184.21

Exact Mass：

184.019

EC Number：

1312995-182-4

NSC Number：

3011

DSSTox ID：

DTXSID00277593

HScode：

29130000

Characteristics

PSA：

59.6

XLogP3：

-0.1

Appearance：

Light yellow-beige to light brown Crystalline Powder or Crystals

Density：

1.3761 (rough estimate)

Melting Point：

155-161 °C

Boiling Point：

288.16°C (rough estimate)

Safety Information

hazard class code：

safety instructions：

24/25-26

Marks：

Hazard note：

Irritant

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 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Methylsulphonylbenzaldehyde Use and Manufacturing

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:184.21
XLogP3:-0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:184.01941529
Monoisotopic Mass:184.01941529
Topological Polar Surface Area:59.6
Heavy Atom Count:12
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methylsulphonylbenzaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4-Methylsulphonylbenzaldehyde

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