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542-75-6 molecular structure
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(1Z)-1,3-dichloroprop-1-ene

ChemBase ID: 125125
Molecular Formular: C3H4Cl2
Molecular Mass: 110.96986
Monoisotopic Mass: 109.96900549
SMILES and InChIs

SMILES:
ClC=CCCl
Canonical SMILES:
ClCC=CCl
InChI:
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2
InChIKey:
UOORRWUZONOOLO-UHFFFAOYSA-N

Cite this record

CBID:125125 http://www.chembase.cn/molecule-125125.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1Z)-1,3-dichloroprop-1-ene
1,3-dichloroprop-1-ene
IUPAC Systematic name
1-Propene, 1,3-dichloro-, (1E)-
IUPAC Traditional name
dichloropropene
telone II
Synonyms
Vorlex 201, dichloro-1,3-propene
1,3-dichloro-1-propene
1,3-dichloro-2-propene
alpha-chloroallylchloride
chloroallylchloride
gamma-chloroallylchloride
chloroallyl chloride
chloroorpropenyl chloride
3-dichloropropylene
3-e
DCP
1,3-Dichloropropene
1,3-Dichloropropene, cis + trans
cis-1,3-Dichloropropene
AQL Agrocelhone
DD92, 1,3-e
Dorlone
Nematoe
Telone
Nemee
cis-Dichloropropene
Di-Trapex Ce
1,3-二氯丙烯, 顺式 + 反式
顺-1,3-二氯丙烯
CAS Number
542-75-6
10061-01-5
EC Number
208-826-5
233-195-8
MDL Number
MFCD00062949
MFCD00000985
Beilstein Number
1719556
Merck Index
143075
PubChem SID
162219475
24863503
24871386
PubChem CID
24726
24883
CHEBI ID
18918
CHEMBL
155926
Chemspider ID
23117
KEGG ID
C18627
MeSH Name
1,3-dichloro-1-propene
Unique Ingredient Identifier
9H780918D0
Wikipedia Title
1,3-Dichloropropene

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8844621  LogD (pH = 7.4) 1.8844621 
Log P 1.8844621  Molar Refractivity 25.2766 cm3
Polarizability 9.731633 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)
Solubility
2.18 g/L (cis) @ 25 °C; 2.32 g/L (trans) @ 25 °C in water expand Show data source
Apperance
Colorless to straw-colored liquid, sweet chloroform-like odor expand Show data source
Melting Point
-84.5 °C expand Show data source
ca -84°C expand Show data source
Boiling Point
104 °C (cis); 112 °C (trans) expand Show data source
104 °C(lit.) expand Show data source
105-106°C expand Show data source
Flash Point
21°C(70°F) expand Show data source
23 °C expand Show data source
28 °C expand Show data source
73.4 °F expand Show data source
Auto Ignition Point
> 500 °C expand Show data source
Density
1.181 expand Show data source
1.217 g/mL (cis); 1.224 g/mL (trans) expand Show data source
1.225 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4701 expand Show data source
n20/D 1.4675(lit.) expand Show data source
Vapor Pressure
34.4 mm Hg @ 25 °C (cis); 23.0 mm Hg @ 25 °C (trans) expand Show data source
Partition Coefficient
1.82 expand Show data source
RTECS
UC8310000 expand Show data source
UC8325000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2047 expand Show data source
UN2047 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
3 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
II expand Show data source
Risk Statements
10-20/21-25-36/37/38-43-50/53 expand Show data source
10-20-24/25-36/37/38-43-50/53-65 expand Show data source
49-10-20-24/25-36/37/38-43-68-50/53-65 expand Show data source
Safety Statements
(1/2-)-36/37-45-60-61 expand Show data source
36/37-45-60-61 expand Show data source
TSCA Listed
expand Show data source
EU Index
208-826-5 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
3
2
0
expand Show data source
Permissible exposure limit
1 expand Show data source
Explode Limits
5.3% - 14.5% (80 °C) expand Show data source
GHS Hazard statements
H225-H311-H302-H332-H315-H319-H317-H335-H350-H304-H341-H400-H410 expand Show data source
H226-H301-H304-H311-H315-H317-H319-H332-H335-H410 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A expand Show data source
P261-P273-P280-P301 + P310-P305 + P351 + P338-P312 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 2047 3/PG 2 expand Show data source
UN 2047 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
tech. 90% expand Show data source
Grade
analytical standard expand Show data source
Packaging
ampule of 100 mg expand Show data source
Linear Formula
ClCH2CH=CHCl expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 377414 external link
Packaging
1 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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