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Derivatization Reagents
(S)-(-)-DBD-Pro-COCl [=(S)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] - >90.0%(HPLC), high purity , CAS No.150993-63-8

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(S)-(-)-DBD-Pro-COCl [=(S)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] - >90.0%(HPLC), high purity , CAS No.150993-63-8

≥90%(HPLC)

CAS#: 150993-63-8
Molecular Weight: 358.8
MDL number: MFCD00191380
PubChem CID: 44630074

In stock

Item Number

S161317

Grouped product items
SKU	Size	Availability	Price
S161317-10mg	10mg	3	$13.90
S161317-50mg	50mg	2	$53.90
S161317-100mg	100mg	2	$81.90

View related series

Five-Membered Heterocyclic Compounds (2064) Oxadiazoles (49)

Basic Description

Synonyms	(2S)-1-[7-(DIMETHYLSULFAMOYL)-2,1,3-BENZOXADIAZOL-4-YL]PYRROLIDINE-2-CARBONYL CHLORIDE \| (S)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole \| MFCD00191380 \| (S)-1-(7-(N,N-Dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol
Specifications & Purity	≥90%(HPLC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice

Names and Identifiers

IUPAC Name	(2S)-1-[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]pyrrolidine-2-carbonyl chloride
INCHI	InChI=1S/C13H15ClN4O4S/c1-17(2)23(20,21)10-6-5-8(11-12(10)16-22-15-11)18-7-3-4-9(18)13(14)19/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1
InChi Key	ZPBKQTOHYMFDLD-VIFPVBQESA-N
Canonical SMILES	CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCCC3C(=O)Cl
Isomeric SMILES	CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC[C@H]3C(=O)Cl
PubChem CID	44630074
Molecular Weight	358.8

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
G2215643	Certificate of Analysis	Jun 28, 2022	S161317
G2215697	Certificate of Analysis	Jun 28, 2022	S161317
G2215644	Certificate of Analysis	Jun 28, 2022	S161317

Chemical and Physical Properties

Sensitivity	Moisture Sensitive,Heat Sensitive
Molecular Weight	358.800 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	358.05 Da
Monoisotopic Mass	358.05 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	567.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.

Specifications

Appearance(S161317)	Light yellow to Yellow to Orange powder to crystal
Purity(HPLC)	90-100（%）
Optical purity(LC)	99-100（%）
Nitrogen by Elemental Analysis	15-16（%）
Effect test of HPLC derivatization	Effective as labeling agent fo 2-Hexanol
Proton NMR spectrum	Conforms to structure

Specification Sheet

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