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NBD-COCl [=4-(N-Chloroformylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole] [for HPLC Labeling] - >92.0%(T), high purity , CAS No.140164-85-8

≥92%(T)

CAS#: 140164-85-8
Molecular Weight: 270.63
MDL number: MFCD02093432
PubChem CID: 23146122

In stock

Item Number

N159648

Grouped product items
SKU	Size	Availability	Price
N159648-10mg	10mg	2	$34.90
N159648-50mg	50mg	2	$133.90
N159648-100mg	100mg	2	$205.90

View related series

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

Basic Description

Synonyms	2-[METHYL(7-NITRO-2,1,3-BENZOXADIAZOL-4-YL)AMINO]ACETYL CHLORIDE \| SCHEMBL4942785 \| 4-(N-Chloroformylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole \| NBD-COCl \| MFCD02093432 \| NBD-COCL [=4-(N-Chloromethylformyl-N-methylamino)-7-nitro-2,1,3-benzoxadiaz
Specifications & Purity	≥92%(T)
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads

Names and Identifiers

IUPAC Name	2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetyl chloride
INCHI	InChI=1S/C9H7ClN4O4/c1-13(4-7(10)15)5-2-3-6(14(16)17)9-8(5)11-18-12-9/h2-3H,4H2,1H3
InChi Key	BLKGIXBLRWZLKS-UHFFFAOYSA-N
Canonical SMILES	CN(CC(=O)Cl)C1=CC=C(C2=NON=C12)[N+](=O)[O-]
Isomeric SMILES	CN(CC(=O)Cl)C1=CC=C(C2=NON=C12)[N+](=O)[O-]
Molecular Weight	270.63
Reaxy-Rn	32038897
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32038897&ln=

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.

6 results found

Lot Number	Certificate Type	Date	Item
I2219169	Certificate of Analysis	Aug 03, 2022	N159648
I2219167	Certificate of Analysis	Aug 03, 2022	N159648
I2219168	Certificate of Analysis	Aug 03, 2022	N159648
G2216429	Certificate of Analysis	Jun 23, 2022	N159648
G2216431	Certificate of Analysis	Jun 23, 2022	N159648
G2216430	Certificate of Analysis	Jun 23, 2022	N159648

Chemical and Physical Properties

Sensitivity	Moisture Sensitive,Heat Sensitive
Molecular Weight	270.630 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	270.016 Da
Monoisotopic Mass	270.016 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	350.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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)	GHS05
Signal	Danger
Hazard Statements	H314:Causes severe skin burns and eye damage H318:Causes serious eye damage H290:May be corrosive to metals
Precautionary Statements	P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. P234:Keep only in original container. P390:Absorb spillage to prevent material damage. P406:Store in corrosive resistant/... container with a resistant inner liner. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317:Get emergency medical help. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately.
Reaxy-Rn	32038897
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32038897&ln=

Proton NMR spectrum

Conforms to Structure

Appearance(N159648)

Light yellow to Brown powder to crystaline

Purity(Argentometric Titration)

92-100（%）

Effect test of HPLC derivatization

Pass

Solution Calculators

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NBD-COCl [=4-(N-Chloroformylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole] [for HPLC Labeling] - >92.0%(T), high purity , CAS No.140164-85-8

Basic Description

Names and Identifiers

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

Chemical and Physical Properties

Safety and Hazards(GHS)

Specifications

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

Customer Reviews