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1,4-BUTANESULTAM

1,4-BUTANESULTAM structure

CAS No:
37441-50-2
Formula:
C4H9NO2S
Chemical Name:
1,4-BUTANESULTAM
Synonyms:
1,1-DIOXO-TETRAHYDRO-2H-1,2-THIAZINE;1,4-BUTANESULTAM;1,2-thiazinane 1,1-dioxide;1,1-Dioxotetrahydro-2H-1,2-thiazine, 1,4-Butanesultam
Categories:
Active Pharmaceutical Ingredients > Synthetic Anti-infective Drugs

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1,4-BUTANESULTAM Basic Attributes

Molecular Weight：

135.18

Exact Mass：

135.03500

NSC Number：

191905

DSSTox ID：

DTXSID70307518

HScode：

2934999090

Characteristics

PSA：

54.6

XLogP3：

-0.2

Density：

1.239 g/cm3

Melting Point：

74-84°C

Boiling Point：

239.2°C at 760 mmHg

Flash Point：

98.5ºC

Refractive Index：

1.48

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

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 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,4-BUTANESULTAM Use and Manufacturing

To a solution of 4-chloro-1 -butanesulfonamide (D5) (31 g, 200 mmol, 1 equiv) in EtOH (500 ml) at room temperature was added NaOEt (14.9 g, 220 mmol, 1.1 equiv). The resulting mixture was refluxed for 5 h then cooled to room temperature and concentrated in vacua. The residual solid was extracted thoroughly with CHStep 1

Computed Properties

Molecular Weight:135.19
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:135.03539970
Monoisotopic Mass:135.03539970
Topological Polar Surface Area:54.6
Heavy Atom Count:8
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes