Benzenamine, 2-chloro-4-fluoro-
Basic information
- CAS
2106-02-7- Standard SMILES
Nc1ccc(F)cc1Cl- InChIKey
XRAKCYJTJGTSMM-UHFFFAOYSA-N- Molecular formula
- C6H5ClFN
- Average molar mass
- 145.56 g/mol
- Monoisotopic mass
- 145.009455
Names & identifiers
- Preferred name
- Benzenamine, 2-chloro-4-fluoro-
- IUPAC
- 2-chloro-4-fluoroaniline
- English name
- 2-Chloro-4-fluoroaniline
- Molecular formula
- C6H5ClFN
- Molecular weight
- 145.56
Names & synonyms
2-Chloro-4-fluoroaniline2106-02-7Benzenamine, 2-chloro-4-fluoro-2-chloro-4-fluorobenzenamineDTXSID5062182EINECS 218-282-0RefChem:561683DTXCID6036419218-282-0MFCD000425302-chloro-4-fluorophenylamine4-fluoro-2-chloroaniline
Show more names
2-chloro-4-fluoroaniline hydrochlorideCHLOROFLUOROANILINETIMTEC-BB SBB0041102-Chloro-4-fluoroani2-Chloro-4-fluoroniline2-Chloro-4-fuoroaniline
2-chloro-4-fluoro-aniline2-chloro-4-fluoro-phenylamine2-chloro-4fluoroaniline2-chloro-4-fluroaniline2-chloro-4-fluoro anilineSCHEMBL109905SCHEMBL2318248SCHEMBL7002860
Database identifiers
- CAS
2106-02-7- PubChem CID
- 75013
- DTXSID
DTXSID5062182- ChEMBL
CHEMBL2323849- UNII
- K77X364T56
- EC Number
- 218-282-0
- Nikkaji
- J208.274H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Experimental & physicochemical properties
LogP2.04
Physicochemical properties
- Boiling point
- 192 °C · 192 °C (lit.)
- Density
- 1.219 g/mL · 1.219 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.554(lit.)
- Flash point
- 209 °F · 209 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.71 · 2.71±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.3111 · 1.3111.219
- BRN
- 2802559 · 2802559
- InChI
- InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
- InChIKey
- XRAKCYJTJGTSMM-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(F)C=C1Cl
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
Warning
H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, 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. 4 (97.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06,GHS08
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 26-37/39-36/37/39-36-24/25
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2-chloro-4-fluoro-: INACTIVE
Applications
Uses2-Chloro-4-fluoroaniline is used as pharmaceutical, pesticide, and liquid crystal material intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
34 records
Compound notes
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