(4-(Difluoromethyl)phenyl)methanamine
Basic information
- CAS
754920-30-4- Standard SMILES
NCc1ccc(C(F)F)cc1- InChIKey
MYVFDIOOJGKYKA-UHFFFAOYSA-N- Molecular formula
- C8H9F2N
- Average molar mass
- 157.16 g/mol
- Monoisotopic mass
- 157.07030562
Names & identifiers
- Preferred name
- (4-(Difluoromethyl)phenyl)methanamine
- IUPAC
- [4-(difluoromethyl)phenyl]methanamine
- English name
- [4-(Difluoromethyl)phenyl]methanamine
- Molecular formula
- C8H9F2N
- Molecular weight
- 157.16
Names & synonyms
[4-(difluoromethyl)phenyl]methanamine754920-30-4(4-(difluoromethyl)phenyl)methanamineRefChem:402214961-860-94-(Difluoromethyl)benzylamineMFCD18791602SCHEMBL21777546SCHEMBL28039069MYVFDIOOJGKYKA-UHFFFAOYSA-NEFB92030ZB1156
Show more names
4-(Difluoromethyl)benzenemethanamineBenzenemethanamine, 4-(difluoromethyl)-
AKOS016368417SB73959BS-43084SY154344DS-018438EN300-137685N12701F2147-4590
Database identifiers
- CAS
754920-30-4- PubChem CID
- 59928024
- EC Number
- 961-860-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 218.3 · 218.3±35.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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