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p-Toluenesulfinic acid

p-Toluenesulfinic acid structure

CAS No:
536-57-2
Formula:
C7H8O2S
Chemical Name:
p-Toluenesulfinic acid
Synonyms:
Benzenesulfinic acid,4-methyl-;p-Toluenesulfinic acid;4-Methylbenzenesulfinic acid;p-Tolylsulfinic acid;4-Toluenesulfinic acid;p-Methylbenzenesulfinic acid;p-Methylphenylsulfinic acid;1-Methyl-4-sulfonylbenzene;37643-57-5;68716-72-3;75910-55-3;99717-60-9;109100-36-9;112639-34-6;113659-81-7;171898-89-8;1081750-25-5;1189246-53-4
Categories:
Chemical Reagents > Organic Reagents

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p-Toluenesulfinic acid Basic Attributes

Molecular Weight：

156.2

Exact Mass：

156.20

EC Number：

208-638-3

UNII：

H3F863QFL6

Characteristics

PSA：

56.5

XLogP3：

1.5

Appearance：

White crystal

Density：

1.058 g/cm³ @ Temp: 13 °C

Melting Point：

86.5 °C

Boiling Point：

88-88.5 °C @ Press: 16 Torr

Flash Point：

159.4±25.9 °C

Refractive Index：

1.653

Safety Information

hazard class code：

R22;R38

safety instructions：

S26-S36

Marks：

Precautionary statement(s)：

S26-S36

Drug Information

MeSH Entry Terms：

4-toluenesulfinic acid

p-Toluenesulfinic acid Use and Manufacturing

Manufacturing Info：

Benzenesulfinic acid, 4-methyl-: ACTIVE

Computed Properties

Molecular Weight:156.20
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:156.02450067
Monoisotopic Mass:156.02450067
Topological Polar Surface Area:56.5
Heavy Atom Count:10
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

80225-01-0

80224-89-1

72818-30-5

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