Basic information
- CAS
57946-56-2- Standard SMILES
Nc1ccc(Cl)cc1F- InChIKey
CSFDTBRRIBJILD-UHFFFAOYSA-N- Molecular formula
- C6H5ClFN
- Average molar mass
- 145.56 g/mol
- Monoisotopic mass
- 145.00945506
Names & identifiers
- Preferred name
- 4-Chloro-2-fluoroaniline
- IUPAC
- 4-chloro-2-fluoroaniline
- English name
- 4-Chloro-2-fluoroaniline
- Molecular formula
- C6H5ClFN
- Molecular weight
- 145.56
Names & synonyms
4-Chloro-2-fluoroaniline57946-56-2EINECS 261-034-1DTXSID00206666RefChem:521065DTXCID30129157261-034-12-fluoro-4-chloroaniline4-chloro-2-fluorobenzenamine4-chloro-2-fluoro-aniline4-Chloro-2-fluoro-phenylamineBenzenamine, 4-chloro-2-fluoro-
Show more names
TIMTEC-BB SBB0041114-Chloro-2-fluoroani-Chloro-2-fluoroaniline4-Chloro-2-fluoroaniline 98%4-Chloro-2-fluoroaniline,98%4-Chloro-2-fluoroaniline >4-CHLORO-2-FLUORO-PHENYLAMINE
MFCD000106254chloro-2-fluoroaniline4-Chloro-2-fluoroaniline, 98%CCG-302537AC-36684-chloro-2-fluorophenylamineF0001-1510Z104477618
Database identifiers
- CAS
57946-56-2- PubChem CID
- 93898
- DTXSID
DTXSID00206666- EC Number
- 261-034-1
- Nikkaji
- J208.279I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Boiling point
- 104 · 104-107 °C (28 mmHg)
- Density
- 1.311 g/mL · 1.311 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.56(lit.)
- Flash point
- 210 °F · 210 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 2.57 · 2.57±0.10(Predicted)
- Specific Gravity
- 1.311 · 1.311
- color
- Clear slightly yellow to orange-brown
- Water Solubility
- slightly soluble
- BRN
- 1934804 · 1934804
- InChI
- InChI=1S/C6H5ClFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
- InChIKey
- CSFDTBRRIBJILD-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(Cl)C=C1F
- CAS DataBase Reference
- 57946 · 57946-56-2(CAS DataBase Reference)
- UNSPSC Code
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29214200
- 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
- safety_code
- 26-37/39-36/37/39-45
- 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 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses4-Chloro-2-fluoroaniline is a compound used in the synthesis of 4-Chloro-2-fluoro-3-iodobenzenamine (1000590-87-3).
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
250 records
Compound notes
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