1-sec-Butyl-2-nitrobenzene - 98%, high purity , CAS No.19370-34-4

Item Number

S160993

Grouped product items
SKU	Size	Availability	Price	Qty
S160993-1g	1g	2	$221.90	+-

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Basic Description

Synonyms	1-(butan-2-yl)-2-nitrobenzene \| B2427 \| InChI=1/C10H13NO2/c1-3-8(2)9-6-4-5-7-10(9)11(12)13/h4-8H,3H2,1-2H3 \| FT-0766538 \| AS-59443 \| 1-(sec-Butyl)-2-nitrobenzene \| GMQQDASXGTUDPJ-UHFFFAOYSA- \| T70497 \| DTXSID50941055 \| EINECS 242-998-2 \| CS-0316372 \| MFCD
Specifications & Purity	≥98%
Shipped In	Normal

Names and Identifiers

Pubchem Sid	504755848
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755848
IUPAC Name	1-butan-2-yl-2-nitrobenzene
INCHI	InChI=1S/C10H13NO2/c1-3-8(2)9-6-4-5-7-10(9)11(12)13/h4-8H,3H2,1-2H3
InChi Key	GMQQDASXGTUDPJ-UHFFFAOYSA-N
Canonical SMILES	CCC(C)C1=CC=CC=C1[N+](=O)[O-]
Isomeric SMILES	CCC(C)C1=CC=CC=C1[N+](=O)[O-]
PubChem CID	86858
Molecular Weight	179.22
Reaxy-Rn	1871576

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
F2317520	Certificate of Analysis	May 22, 2023	S160993
F2319002	Certificate of Analysis	May 22, 2023	S160993

Chemical and Physical Properties

Flash Point(°C)	115 °C
Boil Point(°C)	126°C/12mmHg(lit.)
Molecular Weight	179.220 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	179.095 Da
Monoisotopic Mass	179.095 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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Basic Description