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1592-20-7 molecular structure
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1-(chloromethyl)-4-ethenylbenzene

ChemBase ID: 147841
Molecular Formular: C9H9Cl
Molecular Mass: 152.62076
Monoisotopic Mass: 152.03927797
SMILES and InChIs

SMILES:
C=Cc1ccc(cc1)CCl
Canonical SMILES:
ClCc1ccc(cc1)C=C
InChI:
InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2
InChIKey:
ZRZHXNCATOYMJH-UHFFFAOYSA-N

Cite this record

CBID:147841 http://www.chembase.cn/molecule-147841.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(chloromethyl)-4-ethenylbenzene
IUPAC Traditional name
1-(chloromethyl)-4-ethenylbenzene
Synonyms
4-(Chloromethyl)styrene
4-Vinylbenzyl chloride
1-(Chloromethyl)-4-ethenyl-Benzene
4-氯甲基苯乙烯
4-乙烯基苄氯
CAS Number
1592-20-7
EC Number
216-471-2
MDL Number
MFCD00051362
Beilstein Number
2204384
PubChem SID
162242024
24867308
24889959
PubChem CID
74126

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 74126 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.29719  LogD (pH = 7.4) 3.29719 
Log P 3.29719  Molar Refractivity 45.6112 cm3
Polarizability 17.50684 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
229 °C(lit.) expand Show data source
Flash Point
104 °C expand Show data source
219.2 °F expand Show data source
Density
1.083 g/mL at 20 °C expand Show data source
1.083 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.572 expand Show data source
n20/D 1.572(lit.) expand Show data source
Viscosity
1,830 cP(25 °C)(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 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
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
21/22-34-43 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H311-H314-H317 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-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 3265 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥90% (GC) expand Show data source
90% expand Show data source
Grade
technical expand Show data source
Contains
0.05% 4-tert-butylcatechol as stabilizer expand Show data source
0.05% nitroparaffin as stabilizer expand Show data source
500 ppm tert-butylcatechol as inhibitor expand Show data source
Linear Formula
H2C=CHC6H4CH2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 436887 external link
Packaging
25, 100 mL in glass bottle
Application
Component of ion exchange resins, photo-resist polymers, cross-linkable fibers, coupling agents and electroconducting polymers.Starter for various copolymer preparations.1,2,3Dual functional monomer. Readily derivatized by chloride displacement.
Sigma Aldrich - 94907 external link
Packaging
50, 250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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