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156-60-5 molecular structure
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(E)-1,2-dichloroethene

ChemBase ID: 107059
Molecular Formular: C2H2Cl2
Molecular Mass: 96.94328
Monoisotopic Mass: 95.95335542
SMILES and InChIs

SMILES:
Cl/C=C/Cl
Canonical SMILES:
Cl/C=C/Cl
InChI:
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H
InChIKey:
KFUSEUYYWQURPO-UHFFFAOYSA-N

Cite this record

CBID:107059 http://www.chembase.cn/molecule-107059.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-1,2-dichloroethene
1,2-dichloroethene
IUPAC Traditional name
trans-1,2-dichloroethylene
dichloroethylene
Synonyms
trans-1,2-Dichloroethene
trans-Acetylene dichloride
trans-1,2-Dichloroethylene
1,2-Dichloroethylene, mixture of cis and trans
trans-ACETYLENE DICHLORIDE
trans-1,2-Dichloroethylene
trans-1,2-Dichloroethene
1,2-dichloroethylene
反-1,2-二氯乙烯
反式二氯化乙炔
反式-1,2-二氯乙烯
1,2-二氯乙烯,顺反异构体混合物
反式-1,2-二氯乙烯
反-1,2-二氯乙烯
CAS Number
156-60-5
540-59-0
156-59-2
EC Number
205-860-2
208-750-2
205-859-7
MDL Number
MFCD00062942
MFCD00000925
Beilstein Number
1420761
Merck Index
1492
PubChem SID
24894013
24872050
162093153
24863009
24894012
24861755
PubChem CID
638186

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.741204  LogD (pH = 7.4) 1.741204 
Log P 1.741204  Molar Refractivity 19.579 cm3
Polarizability 7.9331503 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
-50 °C(lit.) expand Show data source
-50°C expand Show data source
-57 - -55°C expand Show data source
-57 °C(lit.) expand Show data source
-80.5°C expand Show data source
Boiling Point
47-49°C expand Show data source
48 °C(lit.) expand Show data source
48-60 °C(lit.) expand Show data source
60.3°C expand Show data source
Flash Point
2°C(35°F) expand Show data source
42.8 °F expand Show data source
6 °C expand Show data source
Density
1.252 expand Show data source
1.257 g/ml expand Show data source
1.257 g/mL at 25 °C(lit.) expand Show data source
1.265 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4455 expand Show data source
n20/D 1.446 expand Show data source
n20/D 1.446(lit.) expand Show data source
n20/D 1.447(lit.) expand Show data source
Vapor Pressure
5.16 psi ( 20 °C) expand Show data source
5.32 psi ( 20 °C) expand Show data source
Hydrophobicity(logP)
1.774 expand Show data source
RTECS
KV9360000 expand Show data source
KV9400000 expand Show data source
KV9420000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1150 expand Show data source
UN1150 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
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
2 expand Show data source
II expand Show data source
Risk Statements
11-20-52/53 expand Show data source
R:11-20-52/53 expand Show data source
Safety Statements
7-16-29-61 expand Show data source
S:7-16-29-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
12.8 % expand Show data source
GHS Hazard statements
H225-H302-H332-H402-H412 expand Show data source
H225-H332-H412 expand Show data source
GHS Precautionary statements
P210-P241-P261-P303+P361+P353-P403+P235-P501A expand Show data source
P210-P273 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1150 3/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
95% expand Show data source
98% expand Show data source
98%, stab. with 4-methoxyphenol expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 5000 mg expand Show data source
Contains
0.02% 2,6-di-tert-butyl-p-cresol as stabilizer expand Show data source
0.1% 1,2-epoxybutane as stabilizer expand Show data source
Quality
amylene stabilized expand Show data source
Linear Formula
ClCH=CHCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202392 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D62209 external link
Packaging
5, 25, 100 g in ampule
Sigma Aldrich - D62403 external link
Packaging
25, 100 mL in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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