1,1'-Sulfonylbis(4-fluoro-3-nitrobenzene)

HCID 9398

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Basic information

CAS: 312-30-1
Standard SMILES: O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)ccc1F
InChIKey: KHAWDEWNXJIVCJ-UHFFFAOYSA-N
Molecular formula: C12H6F2N2O6S
Average molar mass: 344.25 g/mol
Monoisotopic mass: 343.99146341

Names & identifiers

Preferred name: 1,1'-Sulfonylbis(4-fluoro-3-nitrobenzene)
IUPAC: 1-fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene
English name: BIS(4-FLUORO-3-NITROPHENYL) SULFONE
Molecular formula: C12H6F2N2O6S
Molecular weight: 344.25

Names & synonyms

312-30-1Bis(4-fluoro-3-nitrophenyl) sulfoneDifluorodinitrobenzene sulfoneBis(4-fluoro-3-nitrophenyl)sulfone4,4'-DIFLUORO-3,3'-DINITRODIPHENYLSULFONESULFONE, BIS(4-FLUORO-3-NITROPHENYL)NSC-14153Benzene, 1,1'-sulfonylbis(4-fluoro-3-nitro-DFDNPSDBR958H7K9Benzene, 1,1'-sulfonylbis[4-fluoro-3-nitro-DTXSID7059800

Show more names

ndsFNPS4-FLUORO-3-NITROPHEdifluorodinitrobenzenesulfoneDIFLUORO DINITRO DIPHENYL SULFONE4-FLUORO-3-NITROPHENYL SULFONE 97%sulfone,bis(4-fluoro-3-nitrophenyl)

1,1'-Sulfonylbis(4-fluoro-3-nitrobenzene)Bis[4-fluoro-3-nitrophenyl] sulfoneSulfone, bis[4-fluoro-3-nitrophenyl]RefChem:587456DTXCID2038310206-224-74,4'-Sulfonylbis(1-fluoro-2-nitrobenzene)4-Fluoro-3-nitrophenyl sulfone

Database identifiers

CAS: 312-30-1
PubChem CID: 9398
DTXSID: DTXSID7059800
ChEMBL: CHEMBL297905
UNII: DBR958H7K9
EC Number: 206-224-7
Nikkaji: J54.362D

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 134 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 526

Physicochemical properties

Melting point: 191 · 191-194 °C(lit.)
Boiling point: 189 °C · 189°C (rough estimate)
Density: 1.6412 · 1.6412 (estimate)
storage temp.: 2 · 2-8°C
solubility: almost transparency in Acetonitrile
form: powder to crystal
color: White to Light yellow
BRN: 2486439 · 2486439
CAS DataBase Reference: 312 · 312-30-1(CAS DataBase Reference)
FDA UNII: 958 H7K9 · DBR958H7K9
EPA Substance Registry System: 1 · Benzene, 1,1'-sulfonylbis[4-fluoro-3-nitro- (312-30-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1759 · 1759
WGK Germany: 3 · 3
RTECS: 4300000 · WR4300000
F: 10 · 10-21
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2930909899 · 2930909899

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-21
wgk: 3
tsca: TSCA listed
rtecs: WR4300000
ridadr: 1759
hs_code: 2930909899
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8
packing_group: III
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,1'-sulfonylbis[4-fluoro-3-nitro-: ACTIVE

Upstream & downstream products

Upstream raw materials

Suppliers37 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

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Compound notes

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