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4-Bromo-2-nitro-1-thiocyanatobenzene - 96%, high purity , CAS No.157645-54-0

COA

Grade & Purity:

≥96%

Cas Number: 157645-54-0
Molecular Weight: 259.1
PubChem CID: 46739589

In stock

Item Number

B181790

Grouped product items
SKU	Size	Availability	Price	Qty
B181790-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,470.90

Basic Description

Synonyms	4-BROMO-2-NITRO-1-THIOCYANATOBENZENE \| 157645-54-0 \| (4-bromo-2-nitrophenyl) thiocyanate \| 4-Bromo-2-nitrophenyl thiocyanate \| 4-bromo-2-nitrophenylthiocyanate \| DTXSID50675186 \| MFCD12546511 \| AKOS015835506 \| PS-10562 \| CS-0211197 \| Thiocyanic acid, 4-bromo-2-nitrophenyl es
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Names and Identifiers

IUPAC Name	(4-bromo-2-nitrophenyl) thiocyanate
INCHI	InChI=1S/C7H3BrN2O2S/c8-5-1-2-7(13-4-9)6(3-5)10(11)12/h1-3H
InChIKey	XGXZHZFRPAQKCH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Br)[N+](=O)[O-])SC#N
Isomeric SMILES	C1=CC(=C(C=C1Br)[N+](=O)[O-])SC#N
Molecular Weight	259.1
Reaxy-Rn	3054003
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3054003&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	259.079 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	257.91 Da
Monoisotopic Mass	257.91 Da
Topological Polar Surface Area	94.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	247.000
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

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