Basic information
- CAS
452-80-2- Standard SMILES
Cc1ccc(N)c(F)c1- InChIKey
ZQEXBVHABAJPHJ-UHFFFAOYSA-N- Molecular formula
- C7H8FN
- Average molar mass
- 125.14 g/mol
- Monoisotopic mass
- 125.06407748
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Fluoro-4-methylaniline
- IUPAC
- 2-fluoro-4-methylaniline
- English name
- 2-Fluoro-4-methylaniline
- Molecular formula
- C7H8FN
- Molecular weight
- 125.14
Names & synonyms
2-Fluoro-4-methylaniline452-80-22-Fluoro-p-toluidine4-Amino-3-fluorotoluenep-Toluidine, 2-fluoro-Benzenamine, 2-fluoro-4-methyl-NSC-147489Z6EGC62G32DTXSID40196431RefChem:87083DTXCID50118922610-237-7
Show more names
2-fluNH2=12-fluoro-4-met2-fluoro-p-toluidinTIMTEC-BB SBB0066502-Fluoro-4-methylani2-FLUORO-PARATOLUIDINE4-Amine-3-fluorotoluene
2-fluoro-4-methyaniline2-fluoro-4-methyl-anilineMFCD000409752-fluoro-4-methylphenylamine(2-fluoro-4-methylphenyl)amine2-fluoro-4-methyl anilineNSC 147489BRN 2637578
Database identifiers
- CAS
452-80-2- PubChem CID
- 67984
- DTXSID
DTXSID40196431- UNII
- Z6EGC62G32
- EC Number
- 610-237-7
- Nikkaji
- J85.092F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Physicochemical properties
- Melting point
- 3 °C · 3 °C
- Boiling point
- 70 · 70-71 °C/7 mmHg (lit.)
- Density
- 1.108 g/mL · 1.108 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.533(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 3 · 3+-.0.10(Predicted)
- color
- Clear orange to orange-brown
- Water Solubility
- Not miscible in water.
- BRN
- 2637578 · 2637578
- InChI
- InChI=1S/C7H8FN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
- InChIKey
- ZQEXBVHABAJPHJ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(C)C=C1F
- CAS DataBase Reference
- 452 · 452-80-2(CAS DataBase Reference)
- FDA UNII
- 6 EGC62G32 · Z6EGC62G32
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,Xi
- Risk Statements
- 23 · 23/24/25-36/37/38
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 6650000 · XU6650000
- Hazard Note
- Toxic/Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214300 · 29214300
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (89.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (89.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- XU6650000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29214300
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301+H311+H331-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338
Chemistry & industry
Applications
Uses2-Fluoro-4-methylaniline is used in the preparation of 6-chloro-5-fluoroindole via Leimgruber-Batcho reaction. It is also used in the preparation of an (S)-amino alcohol, 2-amino-3-(2-fluoro-4-methylphenyl)-propan-1-ol.
Uses2-Fluoro-4-methylaniline was used in the preparation of 6-chloro-5-fluoroindole via Leimgruber-Batcho reaction. It was also used in the preparation of an (S)-amino alcohol, 2-amino-3-(2-fluoro-4-methylphenyl)-propan-1-ol.
General DescriptionRat liver microsomal metabolism of 2-fluoro-4-methylaniline was studied by HPLC.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
80 records
Compound notes
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