2-(Difluoromethoxy)-5-methylaniline
Basic information
- CAS
832739-40-9- Standard SMILES
Cc1ccc(OC(F)F)c(N)c1- InChIKey
IKGVZZIMSLQACZ-UHFFFAOYSA-N- Molecular formula
- C8H9F2NO
- Average molar mass
- 173.16 g/mol
- Monoisotopic mass
- 173.06522023
Names & identifiers
- Preferred name
- 2-(Difluoromethoxy)-5-methylaniline
- IUPAC
- 2-(difluoromethoxy)-5-methylaniline
- English name
- 2-(Difluoromethoxy)-5-methylaniline
- Molecular formula
- C8H9F2NO
- Molecular weight
- 173.16
Names & synonyms
2-(difluoromethoxy)-5-methylaniline832739-40-9DTXSID30427105RefChem:460622DTXCID30377939815-910-0MFCD034227012-(Difluoromethoxy)-5-methyl-aniline2-Difluoromethoxy-5-methyl-phenylamine2-(difluoromethoxy)-5-methylphenylamineBenzenamine, 2-(difluoromethoxy)-5-methyl-SCHEMBL2719974
Show more names
3-Amino-4-(difluoromethoxy)tolueneHIB73940SBB020949STK312712AKOS000305085AT12965SB85809AS-94259
Database identifiers
- CAS
832739-40-9- PubChem CID
- 7019342
- DTXSID
DTXSID30427105- EC Number
- 815-910-0
Properties
Computed structural properties
- 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
- 231.4 · 231.4±35.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.41 · 3.41±0.10(Predicted)
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
1 records
Compound notes
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