2,3-Difluoro-6-methoxybenzylamine
Basic information
- CAS
886501-77-5- Standard SMILES
COc1ccc(F)c(F)c1CN- InChIKey
TYGWYXQDCGKHHY-UHFFFAOYSA-N- Molecular formula
- C8H9F2NO
- Average molar mass
- 173.16 g/mol
- Monoisotopic mass
- 173.06522023
Names & identifiers
- Preferred name
- 2,3-Difluoro-6-methoxybenzylamine
- IUPAC
- (2,3-difluoro-6-methoxyphenyl)methanamine
- English name
- 2,3-Difluoro-6-methoxybenzylamine
- Molecular formula
- C8H9F2NO
- Molecular weight
- 173.16
Names & synonyms
2,3-Difluoro-6-methoxybenzylamine886501-77-5(2,3-difluoro-6-methoxyphenyl)methanamine1-(2,3-DIFLUORO-6-METHOXYPHENYL)METHANAMINEMFCD04116022(2,3-difluoro-6-methoxy-phenyl)methanamineSCHEMBL19667540DTXSID40402089SBB088743AKOS015854395JS-4355(2,3-difluoro-6-methoxyphenyl)methylamine
Show more names
2,3-Difluoro-6-methoxybenzenemethanamineBenzenemethanamine, 2,3-difluoro-6-methoxy-
DB-226793CS-0322079F342466
Database identifiers
- CAS
886501-77-5- PubChem CID
- 4339538
- DTXSID
DTXSID40402089- EC Number
- 679-365-9
Properties
Computed structural properties
- XLogP
- 1
- 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
- 145
Physicochemical properties
- Boiling point
- 214.8 · 214.8±35.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 8.46 · 8.46±0.10(Predicted)
- form
- liquid
- color
- Clear, light orange/yellow
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 261 · P261-P271-P280
- HazardClass
- 8 · 8
- 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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- hs_code
- 2921490090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314
- Precautionary statements
- P261-P271-P280
Suppliers
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Related reactions
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Compound notes
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