2-(Difluoromethoxy)-4-methylbenzenamine
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Basic information
- CAS
39211-56-8- Standard SMILES
Cc1ccc(N)c(OC(F)F)c1- InChIKey
UZCXAZAIBXSTKB-UHFFFAOYSA-N- Molecular formula
- C8H9F2NO
- Average molar mass
- 173.16 g/mol
- Monoisotopic mass
- 173.06522023
Names & identifiers
- Preferred name
- 2-(Difluoromethoxy)-4-methylbenzenamine
- IUPAC
- 2-(difluoromethoxy)-4-methylaniline
- English name
- 2-(DIFLUOROMETHOXY)-4-METHYLANILINE
- Molecular formula
- C8H9F2NO
- Molecular weight
- 173.16
Names & synonyms
2-(difluoromethoxy)-4-methylaniline39211-56-8DTXSID9012808122-(Difluoromethoxy)-4-methylbenzenamineRefChem:460607DTXCID801711553815-862-02-(difluoromethoxy)-4-methyl-anilineMFCD034225332-Difluoromethoxy-4-methyl-phenylamine2-(difluoromethoxy)-4-methylphenylamineSCHEMBL15173401
Show more names
Benzenamine, 2-(difluoromethoxy)-4-methyl-
SCHEMBL31375639UZCXAZAIBXSTKB-UHFFFAOYSA-NSBB020889STK312882AKOS000188042SB85585DB-087005CS-0215222
Database identifiers
- CAS
39211-56-8- PubChem CID
- 7019294
- DTXSID
DTXSID901280812- EC Number
- 815-862-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 232.8 · 232.8±35.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 3.73 · 3.73±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311+H331-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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