7-Chloro-2H-1,4-benzothiazin-3(4H)-one

Name: 7-Chloro-2H-1,4-benzothiazin-3(4H)-one
Brand: ChemScene
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CAS No. 5333-05-1
Cat. No. CS-0033807
Molecule weight199.66
Purity≥98%
MDL No.MFCD00127344

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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7-Chloro-2H-1,4-benzothiazin-3(4H)-one|CS-0033807

Structure of 5333-05-1

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General Information

CAS No. 5333-05-1
Cat. No. CS-0033807
Purity ≥98%
MDL No. MFCD00127344
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClNOS
Molecular Weight 199.66
Synonym(s) NSC 591; NSC 65752; 7-chloro-4H-1,4-benzothiazin-3-one
SMILES O=C1CSC2=CC(Cl)=CC=C2N1

Synthesis

Route1
- 23474-98-8
- 96-32-2
- ~%
- 5333-05-1
References
- WO2011/151361 A1, ; Page/Page column 44 ; WO 2011/151361 A1
Route2
- 105-39-5
- 3292-54-4
- ~63%
- 5333-05-1
References
- Sawhney, S N; Sharma, P. K.; Bajaj, K; Gupta, A Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1994 , vol. 33, p. 280 - 284
Route3
- 81214-90-6
- ~%
- 5333-05-1
- 21069-05-6
References
- Journal fuer Praktische Chemie (Leipzig), , vol. 323, # 6 p. 924 - 926

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 29.1
LogP 2.3842
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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7-Chloro-2H-1,4-benzothiazin-3(4H)-one

CAS No. 5333-05-1

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