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2106-05-0 molecular structure
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5-chloro-2-fluoroaniline

ChemBase ID: 7148
Molecular Formular: C6H5ClFN
Molecular Mass: 145.5620032
Monoisotopic Mass: 145.00945507
SMILES and InChIs

SMILES:
c1(ccc(c(c1)N)F)Cl
Canonical SMILES:
Clc1ccc(c(c1)N)F
InChI:
InChI=1S/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey:
JCYROOANFKVAIB-UHFFFAOYSA-N

Cite this record

CBID:7148 http://www.chembase.cn/molecule-7148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-fluoroaniline
IUPAC Traditional name
5-chloro-2-fluoroaniline
Synonyms
5-Chloro-2-fluoroaniline
5-Chloro-2-fluoroaniline 98%
5-Chloro-2-fluorophenylamine
5-Chloro-2-fluoroaniline
5-chloro-2-fluorophenylamine
2-氟-5-氯苯胺
5-氯-2-氟苯胺
CAS Number
2106-05-0
EC Number
218-284-1
MDL Number
MFCD00069416
PubChem SID
160970455
24878127
PubChem CID
75015

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.29761  H Acceptors
H Donor LogD (pH = 5.5) 1.8910227 
LogD (pH = 7.4) 1.891066  Log P 1.8910664 
Molar Refractivity 35.7796 cm3 Polarizability 13.064046 Å3
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
20-22°C expand Show data source
Boiling Point
102-105 °C/20 mmHg(lit.) expand Show data source
102-105°C/20mm expand Show data source
102-105°C/20mm expand Show data source
Flash Point
103 °C expand Show data source
103°C expand Show data source
103°C(217°F) expand Show data source
217.4 °F expand Show data source
Density
1.29 expand Show data source
1.29 g/mL at 25 °C(lit.) expand Show data source
1.30 expand Show data source
Refractive Index
1.5600 expand Show data source
1.561 expand Show data source
n20/D 1.561(lit.) expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source
TOXIC expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN2810 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-33-36/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-28-36/37 expand Show data source
26-36 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H311-H302-H332-H315-H319-H373 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P260-P305+P351+P338-P361-P302+P352-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Linear Formula
ClC6H3(F)NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 536024 external link
Packaging
1, 10 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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