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352-11-4 molecular structure
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1-(chloromethyl)-4-fluorobenzene

ChemBase ID: 96998
Molecular Formular: C7H6ClF
Molecular Mass: 144.5739432
Monoisotopic Mass: 144.01420609
SMILES and InChIs

SMILES:
ClCc1ccc(cc1)F
Canonical SMILES:
ClCc1ccc(cc1)F
InChI:
InChI=1S/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey:
IZXWCDITFDNEBY-UHFFFAOYSA-N

Cite this record

CBID:96998 http://www.chembase.cn/molecule-96998.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(chloromethyl)-4-fluorobenzene
IUPAC Traditional name
P-fluorobenzyl chloride
Synonyms
α-Chloro-4-fluorotoluene
1-Chloromethyl-4-fluorobenzene
4-Fluorobenzyl chloride
1-(chloromethyl)-4-fluorobenzene
p-Fluorobenzyl chloride
4-Fluorobenzyl chloride 99%
alpha-Chloro-4-fluorotoluene
4-氟氯苄
4-氟苄氯
对氟氯苄
4-氟苄氯
CAS Number
352-11-4
EC Number
206-516-4
MDL Number
MFCD00000913
Beilstein Number
742272
PubChem SID
162083628
24894954
24870504
PubChem CID
9602

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7031898  LogD (pH = 7.4) 2.7031898 
Log P 2.7031898  Molar Refractivity 36.1413 cm3
Polarizability 13.673699 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)
Melting Point
-18°C expand Show data source
-18°C expand Show data source
Boiling Point
185°C expand Show data source
185°C expand Show data source
82 °C/26 mmHg(lit.) expand Show data source
Flash Point
161.6 °F expand Show data source
60°C expand Show data source
69°C(156°F) expand Show data source
72 °C expand Show data source
Density
1.207 expand Show data source
1.207 g/mL at 25 °C(lit.) expand Show data source
1.214 expand Show data source
Refractive Index
1.5130 expand Show data source
n20/D 1.513 expand Show data source
n20/D 1.513(lit.) expand Show data source
Storage Warning
Corrosive/Flammable/Harmful/Lachrymatory/Moisture Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
2920 expand Show data source
UN3265 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
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
22-34 expand Show data source
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H302-H227 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2920 8/PG 2 expand Show data source
Purity
≥98.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
FC6H4CH2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - F8004 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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