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345-35-7 molecular structure
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1-(chloromethyl)-2-fluorobenzene

ChemBase ID: 96990
Molecular Formular: C7H6ClF
Molecular Mass: 144.5739432
Monoisotopic Mass: 144.01420609
SMILES and InChIs

SMILES:
ClCc1c(cccc1)F
Canonical SMILES:
ClCc1ccccc1F
InChI:
InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey:
MOBRMRJUKNQBMY-UHFFFAOYSA-N

Cite this record

CBID:96990 http://www.chembase.cn/molecule-96990.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(chloromethyl)-2-fluorobenzene
IUPAC Traditional name
O-fluorobenzyl chloride
Synonyms
alpha-Chloro-2-fluorotoluene
α-Chloro-2-fluorotoluene, 1-Chloromethyl-2-fluorobenzene
2-Fluorobenzyl chloride
o-FLUOROBENZYL CHLORIDE
2-Fluorobenzyl chloride 98%
α-Chloro-2-fluorotoluene
1-Chloromethyl-2-fluorobenzene
2-Fluorobenzyl chloride
1-(ChloroMethyl)-2-fluorobenzene
2-氟苄氯
2-氟氯苄
2-氟苄氯
邻氟氯苄
CAS Number
345-35-7
EC Number
206-460-0
MDL Number
MFCD00000892
Beilstein Number
471699
PubChem SID
24894945
162083622
24870486
PubChem CID
9580

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 13.67359 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
175°C expand Show data source
175°C expand Show data source
86 °C/40 mmHg(lit.) expand Show data source
Flash Point
134.6 °F expand Show data source
57 °C expand Show data source
57°C expand Show data source
57°C(134°F) expand Show data source
Density
1.216 expand Show data source
1.216 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5154 expand Show data source
n20/D 1.514(lit.) expand Show data source
n20/D 1.515 expand Show data source
Storage Warning
Corrosive/Flammable/Lachrymatory expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2920 expand Show data source
UN2920 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 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
34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
H314-H318-H226 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
≥97.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
FC6H4CH2Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212200 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - F7601 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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