Basic information
- CAS
363-51-9- Standard SMILES
Nc1c(F)cccc1Cl- InChIKey
ZJLAWMDJTMMTQB-UHFFFAOYSA-N- Molecular formula
- C6H5ClFN
- Average molar mass
- 145.56 g/mol
- Monoisotopic mass
- 145.00945506
Names & identifiers
- Preferred name
- 2-Chloro-6-fluoroaniline
- IUPAC
- 2-chloro-6-fluoroaniline
- English name
- 2-Chloro-6-fluoroaniline
- Molecular formula
- C6H5ClFN
- Molecular weight
- 145.56
Names & synonyms
2-Chloro-6-fluoroaniline363-51-9EINECS 206-657-1DTXSID90189838RefChem:86330DTXCID50112329206-657-12-chloro-6-fluoro-anilineMFCD00040309Benzenamine, 2-chloro-6-fluoro-2-chloro-6-fluorobenzenamineAKOS005256217
Show more names
SKL273Chloro-6-fluoroanilTIMTEC-BB SBB004109-Chloro-6-fluoroaniline2-Chloro-6-fluoroaniline97%2-Chloro-6-fluoroaniline>2-Chloro-6-fluoroaniline,99%
AC-36676-chloro-2-fluorophenylamine2-fluoro-6-chloroaniline2-Chloro-6-fluoro-phenylamine2-Chloro-6-fluoroani6-Fluoro-2-chloroanilineAM20060184FT-0601468
Database identifiers
- CAS
363-51-9- PubChem CID
- 2734205
- DTXSID
DTXSID90189838- UNII
- GC4UKN4T4Y
- EC Number
- 206-657-1
- Nikkaji
- J193.865G
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- Melting point
- 32 °C · 32 °C
- Boiling point
- 67 · 67-69 °C (14 mmHg)
- Density
- 1.316 · 1.316
- refractive index
- 1.548 · 1.548-1.554
- Flash point
- 67 · 67-69°C/14mm
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Water Solubility
- Insoluble in water
- pka
- 1.26 · 1.26±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.316 · 1.316
- color
- Clear pale yellow
- InChIKey
- ZJLAWMDJTMMTQB-UHFFFAOYSA-N
- CAS DataBase Reference
- 363 · 363-51-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS06,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H302-H312-H331-H373
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (12.5%): 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (87.5%)
Safety data
- ridadr
- 2811
- hs_code
- 29214200
- risk_code
- 36/37/38-20/21/22-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06,GHS08
- hazard_code
- Xn,T
- hazard_note
- Toxic
- safety_code
- 36/37/39-26-45
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302+H312+H332-H315-H319-H302-H312-H331-H373
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P260-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Chloro-6-fluoroaniline is an important synthetic intermediate of the new drug clomiphene citrate. It has relatively few toxic side effects and is a drug intermediate with excellent performance and has broad market development prospects.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
26 records
Compound notes
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