Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(F)c(F)c1- InChIKey
RUBQQRMAWLSCCJ-UHFFFAOYSA-N- Molecular formula
- C6H3F2NO2
- Average molar mass
- 159.09 g/mol
- Monoisotopic mass
- 159.01318466
Names & identifiers
- Preferred name
- 1,2-Difluoro-4-nitrobenzene
- IUPAC
- 1,2-difluoro-4-nitrobenzene
- English name
- 3,4-Difluoronitrobenzene
- Molecular formula
- C6H3F2NO2
- Molecular weight
- 159.09
Names & synonyms
Show more names
Database identifiers
- CAS
369-34-6- PubChem CID
- 123053
- DTXSID
DTXSID00190379- UNII
- B3RMA758VG
- EC Number
- 206-718-2
- Nikkaji
- J135.066H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- -12 C · -12C
- Boiling point
- 76 · 76-80 °C/11 mmHg (lit.)
- Density
- 1.437 g/mL · 1.437 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.509(lit.)
- Flash point
- 177 °F · 177 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol
- form
- Liquid
- Specific Gravity
- 1.437 · 1.437
- color
- Clear yellow
- Water Solubility
- insoluble
- BRN
- 1944996 · 1944996
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
- InChI
- 1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
- InChIKey
- RUBQQRMAWLSCCJ-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(F)c(F)c1
- CAS DataBase Reference
- 369 · 369-34-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 RMA758VG · B3RMA758VG
- NIST Chemistry Reference
- 3 · 3,4-Difluoronitrobenzene(369-34-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36/37/39-36
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- RTECS
- 5710000 · CZ5710000
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29049090 · 29049090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (12.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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.
Hazard information
Regulatory information
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- CZ5710000
- ridadr
- 2810
- hs_code
- 29049090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3,4-Difluoronitrobenzene was used in the preparation of xanthones and acridones.
General DescriptionThe experimental and computational thermochemical study of 3,4-difluoronitrobenzene was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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