2-Bromo-5-methylsulfonylnitrobenzene

HCID 2060366

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Basic information

CAS: 94832-06-1
Standard SMILES: CS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1
InChIKey: ZRANEAXTVRBKGK-UHFFFAOYSA-N
Molecular formula: C7H6BrNO4S
Average molar mass: 280.1 g/mol
Monoisotopic mass: 278.92009077

Names & identifiers

Preferred name: 2-Bromo-5-methylsulfonylnitrobenzene
IUPAC: 1-bromo-4-methylsulfonyl-2-nitrobenzene
English name: 1-BROMO-4-(METHYLSULPHONYL)-2-NITROBENZENE
Molecular formula: C7H6BrNO4S
Molecular weight: 280.1

Names & synonyms

94832-06-11-Bromo-4-(methylsulfonyl)-2-nitrobenzene2-Bromo-5-methylsulfonylnitrobenzene1-bromo-4-methylsulfonyl-2-nitrobenzeneMFCD000546051-bromo-4-methanesulfonyl-2-nitrobenzene1-Bromo-4-(methylsulphonyl)-2-nitrobenzeneCB29 (derivative 15)Benzene,1-bromo-4-(methylsulfonyl)-2-nitro-SCHEMBL1008124DTXSID50366163ZRANEAXTVRBKGK-UHFFFAOYSA-N

Show more names

1-Bromo-4-(mesyl)-2-nitrobenzene1-bromo-4-(methylsulfonyl)-2-nitrobenzenBenzene, 1-bromo-4-(methylsulfonyl)-2-nitro-1-Bromo-4-(methylsulphonyl)-2-nitrobenzene98%1-Bromo-4-(methylsulphonyl)-2-nitrobenzene 98%cas 94832-06-1 2-Bromo-5-methylsulfonylnitrobenzene 98%

UDA832062-nitro-4-methylsulfonyl-bromobenzenebromo-4-methylsulfonyl-2-nitrobenzeneAKOS015835211AB022561-bromo-4-methylsulfonyl-2-nitro-benzeneAS-65057SY122939

Database identifiers

CAS: 94832-06-1
PubChem CID: 2060366
DTXSID: DTXSID50366163

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 88.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 318

Physicochemical properties

Melting point: 114 · 114-117
storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2930909899 · 2930909899

Safety & regulation

Safety data

hs_code: 2930909899
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501