CAS 6921-22-8 1,2-Difluoro-3-nitrobenzene (HCID 81335)

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Basic information

CAS: 6921-22-8
Standard SMILES: O=[N+]([O-])c1cccc(F)c1F
InChIKey: IXIJRPBFPLESEI-UHFFFAOYSA-N
Molecular formula: C6H3F2NO2
Average molar mass: 159.09 g/mol
Monoisotopic mass: 159.01318466

Names & identifiers

Preferred name: 1,2-Difluoro-3-nitrobenzene
IUPAC: 1,2-difluoro-3-nitrobenzene
English name: 2,3-Difluoronitrobenzene
Molecular formula: C6H3F2NO2
Molecular weight: 159.09

Names & synonyms

6921-22-81,2-Difluoro-3-nitrobenzeneEINECS 230-035-9DTXSID90219240RefChem:71883DTXCID10141731230-035-92,3-DifluoronitrobenzenedifluoronitrobenzeneMFCD004568021,2-difluoro-3-nitro-benzene2,3-difluoro-1-nitrobenzene

Show more names

2,3-Difluoronitrobenzene ,98%Benzene, 1,2-difluoro-3-nitro-2-methylthiazole-33-carboxylic acid2,3-Difluoronitrobenzene ISO 9001：2015 REACHBenzene, 1,2-difluoro-3-nitro- (7CI,8CI,9CI)

difluoro-nitro-benzene23-Difluoronitrobenzene1,2-difluoronitrobenzeneW6QTH3UG8N1,2-difluoro nitrobenzene2,3-difluoro-4-nitrobenzeneSCHEMBL307855SCHEMBL29355089

Database identifiers

CAS: 6921-22-8
PubChem CID: 81335
DTXSID: DTXSID90219240
UNII: W6QTH3UG8N
EC Number: 230-035-9
Nikkaji: J265.959J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 219 · 219.0±20.0 °C(Predicted)
Density: 1.45 · 1.450±0.06 g/cm3(Predicted)
Flash point: 90 ° · 90°
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Light yellow to yellow
InChI: InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey: IXIJRPBFPLESEI-UHFFFAOYSA-N
SMILES: C1(F)=CC=CC([N+]([O-])=O)=C1F
CAS DataBase Reference: 6921 · 6921-22-8(CAS DataBase Reference)
FDA UNII: 6 QTH3UG8N · W6QTH3UG8N
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.