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6262-42-6 molecular structure
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tetrachlorocycloprop-1-ene

ChemBase ID: 139913
Molecular Formular: C3Cl4
Molecular Mass: 177.8441
Monoisotopic Mass: 175.87541072
SMILES and InChIs

SMILES:
C1(=C(C1(Cl)Cl)Cl)Cl
Canonical SMILES:
ClC1=C(C1(Cl)Cl)Cl
InChI:
InChI=1S/C3Cl4/c4-1-2(5)3(1,6)7
InChIKey:
BLZOHTXDDOAASQ-UHFFFAOYSA-N

Cite this record

CBID:139913 http://www.chembase.cn/molecule-139913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrachlorocycloprop-1-ene
IUPAC Traditional name
tetrachlorocycloprop-1-ene
Synonyms
Tetrachlorocyclopropene
四氯环丙烯
CAS Number
6262-42-6
EC Number
228-418-0
MDL Number
MFCD00001267
Beilstein Number
1099206
PubChem SID
24848753
162234160
PubChem CID
80428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
145947 external link Add to cart Please log in.
Data Source Data ID
PubChem 80428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.568239  LogD (pH = 7.4) 2.568239 
Log P 2.568239  Molar Refractivity 34.256 cm3
Polarizability 12.977563 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
125-130 °C(lit.) expand Show data source
Density
1.45 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.507(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
36/37 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C3Cl4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 145947 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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