Completing data — usually done within a minute
Basic information
- Standard SMILES
CNCc1cccc(F)c1- InChIKey
ZXWCKKSSCIFVBT-UHFFFAOYSA-N- Molecular formula
- C8H10FN
- Average molar mass
- 139.173 g/mol
- Monoisotopic mass
- 139.07972754
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-fluoro-N-methyl-
- IUPAC
- 1-(3-Fluorophenyl)-N-methylmethanamine
- English name
- (3-Fluorobenzyl)methylamine
- Molecular formula
- C8H10FN
- Molecular weight
- 139.17
Names & synonyms
3-FLUORO-N-METHYLBENZYLAMINEAids011076Aids-011076(3-FLUOROBENZYL)METH(3-Fluorobenzyl)methylamineN-Methyl-3-fluorobenzylamine(3-Fluorobenzyl)methylamine95%3-Fluoro-N-methylbenzylamine>3-Fluoro-N-methylbenzylamine ,97%3-Fluoro-N-methylbenzylamine
Database identifiers
- CAS
90389-84-7- PubChem CID
- 457577
- DTXSID
DTXSID50238114- ChEMBL
CHEMBL1178113- EC Number
- 627-017-1
Properties
Physicochemical properties
- Boiling point
- 183 · 183-184 °C (lit.)
- Density
- 1.015 g/mL · 1.015 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4990(lit.)
- Flash point
- 152 °F · 152 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 9.39 · 9.39±0.10(Predicted)
- color
- Colorless to tan
- InChI
- 1S/C8H10FN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
- InChIKey
- ZXWCKKSSCIFVBT-UHFFFAOYSA-N
- SMILES
- CNCc1cccc(F)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-36/39
- RIDADR
- 2735 · UN 2735 8/PG III
- WGK Germany
- 2 · 2
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214990 · 29214990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- UN 2735 8/PG III
- hs_code
- 29214990
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/39
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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Related reactions
3 records
Linked notes
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