3,4-Dinitrofluorobenzene

HCID 298675

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Basic information

CAS: 364-53-4
Standard SMILES: O=[N+]([O-])c1ccc(F)cc1[N+](=O)[O-]
InChIKey: IRIUWJQQUVBRLV-UHFFFAOYSA-N
Molecular formula: C6H3FN2O4
Average molar mass: 186.1 g/mol
Monoisotopic mass: 186.0076848

Names & identifiers

Preferred name: 3,4-Dinitrofluorobenzene
IUPAC: 4-fluoro-1,2-dinitrobenzene
English name: 3,4-Dinitrofluorobenzene
Molecular formula: C6H3FN2O4
Molecular weight: 186.1

Names & synonyms

3,4-DinitrofluorobenzeneDTXSID40305501RefChem:486387DTXCID50256631670-817-0364-53-44-fluoro-1,2-dinitrobenzene1,2-Dinitro-4-fluorobenzene1-Fluoro-3,4-dinitrobenzeneMFCD00236671Benzene,4-fluoro-1,2-dinitro-Benzene, 4-fluoro-1,2-dinitro-

Show more names

NSC 1709381,2-Dinitro-4-fluorobenzene 97%

C6H3FN2O44-Fluoro-1,2-dinitro-benzeneNSC1709384-fluorodinitro-benzene3,4-Dinitrofluorobenzene97%SCHEMBL2165533,4-Dinitrofluorobenzene 97%CHEMBL350210

Database identifiers

CAS: 364-53-4
PubChem CID: 298675
DTXSID: DTXSID40305501
ChEMBL: CHEMBL350210
EC Number: 670-817-0
Nikkaji: J397.593B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 91.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 42.5 · 42.5-46.8
Boiling point: 327 ℃ · 327℃
Density: 1.586 · 1.586
Flash point: 152 ℃ · 152℃
storage temp.: Sealed in dry,Room Temperature
form: crystalline powder
color: Dark orange
CAS DataBase Reference: 364 · 364-53-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: T
Risk Statements: 23 · 23/24/25-33
Safety Statements: 28 · 28-37-45
RIDADR: 2811 · 2811
HazardClass: TOXIC
HS Code: 2904990090 · 2904990090
Limited Quantities: 0.5 Kg · 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311 (90%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 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 CategoriesAcute Tox. 3 (10%)

Safety data

ridadr: 2811
hs_code: 2904990090
risk_code: 23/24/25-33
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 28-37-45
hazard_class: TOXIC
Hazard statements: H302-H315-H319-H332-H335
Limited Quantities: 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501