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75-19-4 molecular structure
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cyclopropane

ChemBase ID: 126816
Molecular Formular: C3H6
Molecular Mass: 42.07974
Monoisotopic Mass: 42.04695019
SMILES and InChIs

SMILES:
C1CC1
Canonical SMILES:
C1CC1
InChI:
InChI=1S/C3H6/c1-2-3-1/h1-3H2
InChIKey:
LVZWSLJZHVFIQJ-UHFFFAOYSA-N

Cite this record

CBID:126816 http://www.chembase.cn/molecule-126816.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclopropane
IUPAC Traditional name
cyclopropane
Synonyms
Cyclopropane
Cyclopropane
环丙烷
CAS Number
75-19-4
EC Number
200-847-8
MDL Number
MFCD00001268
PubChem SID
162221143
24857764
PubChem CID
6351
CHEBI ID
30365
CHEMBL
1796999
Chemspider ID
6111
KEGG ID
D03627
Unique Ingredient Identifier
99TB643425
Wikipedia Title
Cyclopropane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
295183 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.333706  LogD (pH = 7.4) 1.333706 
Log P 1.333706  Molar Refractivity 13.803 cm3
Polarizability 5.541126 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
-128 °C(lit.) expand Show data source
-128°C expand Show data source
Boiling Point
-33 °C(lit.) expand Show data source
-33°C expand Show data source
Auto Ignition Point
928 °F expand Show data source
Density
1.879 g/L (1 atm, 0 °C) expand Show data source
Vapor Density
1.45 (vs air) expand Show data source
RTECS
GZ0690000 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
UN Number
1027 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
2.1 expand Show data source
Risk Statements
12 expand Show data source
Safety Statements
9-16-33 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS04 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Highly flammable
Asphyxiant
expand Show data source
NFPA704
NFPA 704 diagram
4
1
0
expand Show data source
Explode Limits
10.4 % expand Show data source
GHS Hazard statements
H220-H280 expand Show data source
GHS Precautionary statements
P210-P410 + P403 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1027 2.1 expand Show data source
Purity
≥99% expand Show data source
Empirical Formula (Hill Notation)
C3H6 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 295183 external link
Packaging
25 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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