1-(Difluoromethyl)-2-nitrobenzene
Basic information
- CAS
64747-65-5- Standard SMILES
O=[N+]([O-])c1ccccc1C(F)F- InChIKey
QQJFTEZEGZZSFV-UHFFFAOYSA-N- Molecular formula
- C7H5F2NO2
- Average molar mass
- 173.12 g/mol
- Monoisotopic mass
- 173.02883473
Names & identifiers
- Preferred name
- 1-(Difluoromethyl)-2-nitrobenzene
- IUPAC
- 1-(difluoromethyl)-2-nitrobenzene
- English name
- 1-(DifluoroMethyl)-2-nitrobenzene
- Molecular formula
- C7H5F2NO2
- Molecular weight
- 173.12
Names & synonyms
1-(Difluoromethyl)-2-nitrobenzene64747-65-5DTXSID40602906RefChem:427660DTXCID60553663863-599-5MFCD233825102-(Difluoromethyl)nitrobenzene1-CF2HSCHEMBL10686074SCHEMBL29746197QQJFTEZEGZZSFV-UHFFFAOYSA-N
Show more names
2-NitrobenzalfluorideBenzene, 1-(difluoromethyl)-2-nitro-
o-nitro-alpha,alpha-difluorotoluene1-(difluoromethyl)-2-nitro-benzeneZB1260AKOS017345224AB91137DS-3043SY113210CS-0019266
Database identifiers
- CAS
64747-65-5- PubChem CID
- 20140490
- DTXSID
DTXSID40602906- EC Number
- 863-599-5
- Nikkaji
- J3.329.194I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 254.5 · 254.5±30.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- liquid
- color
- clear
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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