Basic information
- CAS
1427-07-2- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1F- InChIKey
WIQISTBTOQNVCE-UHFFFAOYSA-N- Molecular formula
- C7H6FNO2
- Average molar mass
- 155.13 g/mol
- Monoisotopic mass
- 155.0382566
Names & identifiers
- Preferred name
- 2-Fluoro-4-nitrotoluene
- IUPAC
- 2-fluoro-1-methyl-4-nitrobenzene
- English name
- 2-Fluoro-4-nitrotoluene
- Molecular formula
- C7H6FNO2
- Molecular weight
- 155.13
Names & synonyms
2-Fluoro-4-nitrotoluene1427-07-22-Fluoro-1-methyl-4-nitrobenzeneEINECS 215-845-2WIQISTBTOQNVCE-UHFFFAOYSA-DTXSID40162131NSC 60724RefChem:472401DTXCID2084622215-845-2InChI=1/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3Benzene, 2-fluoro-1-methyl-4-nitro-
Show more names
2-Fluouoro-4-nitrotoL2-Fluoro-4-nitrotolu2-Fluoro-4-nitrotluene2-fluoro-4-Nitrotoluol2-fluoro-4-nitrtoluene2-fluoro-4-nitrobenzene4-Fluoro-4-Nitrotoluene
Toluene, 2-fluoro-4-nitro-2-fluoro-1-methyl-4-nitro-benzene3-Fluoro-4-methylnitrobenzene1-Methyl-2-fluoro-4-nitrobenzeneMFCD00007199NSC-60724NSC607242-fluoro4-nitrotoluene
Database identifiers
- CAS
1427-07-2- PubChem CID
- 74025
- DTXSID
DTXSID40162131- UNII
- CSP7NA3X52
- EC Number
- 215-845-2
- Nikkaji
- J256.547A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 31 · 31-35 °C (lit.)
- Boiling point
- 65 · 65-68 °C/2 mmHg (lit.)
- Density
- 1.3021 · 1.3021 (estimate)
- Flash point
- 165 °F · 165 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Low Melting Solid
- color
- Yellow to brown
- Water Solubility
- Insoluble in water. Solubility in methanol gives very faint turbidity.
- FreezingPoint
- 32 to · 32.0 to 35.0 ℃
- BRN
- 2250156 · 2250156
- InChI
- InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
- InChIKey
- WIQISTBTOQNVCE-UHFFFAOYSA-N
- SMILES
- C1(C)=CC=C([N+]([O-])=O)C=C1F
- CAS DataBase Reference
- 1427 · 1427-07-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · Benzene, 2-fluoro-1-methyl-4-nitro-(1427-07-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29049085
- risk_code
- 20/21/22-36/37/38-11
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,Xi,F
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H228-H302+H312+H332-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Sol. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2-Fluoro-4-nitrotoluene was used in the synthesis of 2-fluoro-4-nitrobenzoic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
44 records
Compound notes
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