1-Fluoro-5-methyl-2,4-dinitrobenzene

HCID 520705CAS 349-01-9

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey: CMIMRMOSIVTUAA-UHFFFAOYSA-N
Molecular formula: C7H5FN2O4
Average molar mass: 200.12 g/mol
Monoisotopic mass: 200.02333486

Names & identifiers

Preferred name: 1-Fluoro-5-methyl-2,4-dinitrobenzene
IUPAC: 1-fluoro-5-methyl-2,4-dinitrobenzene
English name: 2,4-Dinitro-5-fluorotoluene
Molecular formula: C7H5FN2O4
Molecular weight: 200.12

Names & synonyms

349-01-91-fluoro-5-methyl-2,4-dinitrobenzeneDTXSID00334433RefChem:230583DTXCID10285523670-818-62,4-Dinitro-5-fluorotolueneMFCD002051111-Fluoro-5-methyl-2,4-dinitro-benzeneBenzene,1-fluoro-5-methyl-2,4-dinitro-5-fluoro-2,4-dinitrotolueneSCHEMBL397387

Show more names

2,4-Dinitro-5-fluorotolene2,4-Dinitro-5-fluorotoluene99%2,4-Dinitro-5-fluorotoluene 99%2,4-Dinitro-5-methylfluorobenzene2,4-Dinitro-1-fluoro-5-methylbenzene

CMIMRMOSIVTUAA-UHFFFAOYSA-NToluene, 3-fluoro-4,6-dinitro-SBB064738AKOS0062236905-fluoro-1-methyl-2,4-dinitrobenzeneFD67959PS-10535SY018465

Database identifiers

CAS: 349-01-9
PubChem CID: 520705
DTXSID: DTXSID00334433
EC Number: 670-818-6

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 91.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 249

Physicochemical properties

Melting point: 82 °C · 82°C
Boiling point: 129 · 129-130.5 °C(Press: 0.5 Torr)
Density: 1.497 · 1.497±0.06 g/cm3(Predicted)
form: crystalline powder
color: Pale lemon
CAS DataBase Reference: 349 · 349-01-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36/37/39-45
Hazard Note: Irritant
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2904990090
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 36/37/39-45
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362