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Phenylmethanesulfonamide

Phenylmethanesulfonamide structure

CAS No:
4563-33-1
Formula:
C7H9NO2S
Chemical Name:
Phenylmethanesulfonamide
Synonyms:
Benzenemethanesulfonamide;α-Toluenesulfonamide;Phenylmethanesulfonamide;Benzylsulfonamide;1-Phenylmethanesulfonamide;Griltex PS 7200;NSC 28899;Alpha-toluenesulfonamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Phenylmethanesulfonamide Basic Attributes

Molecular Weight：

171.22

Exact Mass：

171.22

EC Number：

224-935-0

UNII：

23VQ7K2YL2

NSC Number：

28899

DSSTox ID：

DTXSID0063525

HScode：

2935009090

Characteristics

PSA：

68.5

XLogP3：

0.1

Appearance：

Solid.

Density：

1.3±0.1 g/cm3

Melting Point：

102.5 °C

Boiling Point：

343.1°C at 760 mmHg

Flash Point：

161.3±25.9 °C

Refractive Index：

1.587

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

hazard class code：

20/21/22

safety instructions：

26-36

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 200 companies from 4 notifications to the ECHA C&L Inventory.

Phenylmethanesulfonamide Use and Manufacturing

Manufacturing Info：

Benzenemethanesulfonamide: INACTIVE

Computed Properties

Molecular Weight:171.22
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:171.03539970
Monoisotopic Mass:171.03539970
Topological Polar Surface Area:68.5
Heavy Atom Count:11
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes