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1435-43-4 molecular structure
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1-chloro-3,5-difluorobenzene

ChemBase ID: 7276
Molecular Formular: C6H3ClF2
Molecular Mass: 148.5378264
Monoisotopic Mass: 147.98913422
SMILES and InChIs

SMILES:
c1(cc(cc(c1)Cl)F)F
Canonical SMILES:
Fc1cc(F)cc(c1)Cl
InChI:
InChI=1S/C6H3ClF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey:
RFKBODCWHNDUTJ-UHFFFAOYSA-N

Cite this record

CBID:7276 http://www.chembase.cn/molecule-7276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-3,5-difluorobenzene
IUPAC Traditional name
1-chloro-3,5-difluorobenzene
Synonyms
1-Chloro-3,5-difluorobenzene
1-Chloro-3,5-difluorobenzene 97%
1-Chloro-3,5-difluorobenzene
3,5-Difluorochlorobenzene
3,5-二氟氯苯
1-氯-3,5-二氟苯
CAS Number
1435-43-4
MDL Number
MFCD00041518
Beilstein Number
2205670
PubChem SID
24878209
160970583
PubChem CID
137000

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8626943  LogD (pH = 7.4) 2.8626943 
Log P 2.8626943  Molar Refractivity 31.2956 cm3
Polarizability 11.730751 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
111-112 °C(lit.) expand Show data source
117-119°C expand Show data source
117-119°C expand Show data source
Flash Point
29 °C expand Show data source
29°C(84°F) expand Show data source
84.2 °F expand Show data source
Density
1.329 expand Show data source
1.329 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4662 expand Show data source
1.468 expand Show data source
1.4680 expand Show data source
n20/D 1.465(lit.) expand Show data source
Storage Warning
Flammable expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
10-36/37/38 expand Show data source
Safety Statements
23-26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Linear Formula
ClC6H3F2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 537292 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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