Basic information
- Standard SMILES
Cc1cc(F)ccc1N- InChIKey
KMHLGVTVACLEJE-UHFFFAOYSA-N- Molecular formula
- C7H8FN
- Average molar mass
- 125.14 g/mol
- Monoisotopic mass
- 125.06407742
Names & identifiers
- Preferred name
- 4-Fluoro-2-methylaniline
- IUPAC
- 4-fluoro-2-methylaniline
- English name
- 4-Fluoro-2-methylaniline
- Molecular formula
- C7H8FN
- Molecular weight
- 125.14
Names & synonyms
Show more names
Database identifiers
- CAS
452-71-1- PubChem CID
- 67982
- DTXSID
DTXSID6060008- UNII
- P7D3BF9SJM
- EC Number
- 207-208-2
- Nikkaji
- J149.713H
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
Physicochemical properties
- Melting point
- 14.2 °C · 14.2°C
- Boiling point
- 90 · 90-92 °C/16 mmHg (lit.)
- Density
- 1.126 g/mL · 1.126 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.537(lit.)
- Flash point
- 190 °F · 190 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 4.51 · 4.51±0.10(Predicted)
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- Specific Gravity
- 1.126 · 1.126
- BRN
- 1931798 · 1931798
- InChI
- 1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
- InChIKey
- KMHLGVTVACLEJE-UHFFFAOYSA-N
- SMILES
- Cc1cc(F)ccc1N
- CAS DataBase Reference
- 452 · 452-71-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 D3BF9SJM · P7D3BF9SJM
- NIST Chemistry Reference
- 4 · Benzenamine, 4-fluoro-2-methyl-(452-71-1)
- EPA Substance Registry System
- 4 · 4-Fluoro-2-methylaniline (452-71-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,T,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-23/24/25
- Safety Statements
- 26 · 26-36/37/39-45-36
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- RTECS
- 500000 · CY0500000
- Hazard Note
- Toxic/Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214300 · 29214300
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (10.2%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (89.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P262, P264, P264+P265, P270, P271, P280, 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CY0500000
- ridadr
- 2810
- hs_code
- 29214300
- risk_code
- 20/21/22-36/37/38-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses4-Fluoro-2-methylaniline was used in the synthesis of 4-fluoro-N-[(E)-{7-methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}methylidene]-2-methylaniline.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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