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1528-30-9 molecular structure
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methylidenecyclopentane

ChemBase ID: 112360
Molecular Formular: C6H10
Molecular Mass: 82.1436
Monoisotopic Mass: 82.07825032
SMILES and InChIs

SMILES:
C=C1CCCC1
Canonical SMILES:
C=C1CCCC1
InChI:
InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2
InChIKey:
NFJPEKRRHIYYES-UHFFFAOYSA-N

Cite this record

CBID:112360 http://www.chembase.cn/molecule-112360.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methylidenecyclopentane
IUPAC Traditional name
cyclopentane, methylene-
Synonyms
METHYLENECYCLOPENTANE
Methylenecyclopentane
亚甲基环戊烷
CAS Number
1528-30-9
EC Number
216-203-4
MDL Number
MFCD00001421
Beilstein Number
1847501
PubChem SID
24855127
162098179
PubChem CID
73714

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 73714 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1622167  LogD (pH = 7.4) 2.1622167 
Log P 2.1622167  Molar Refractivity 27.3311 cm3
Polarizability 10.853355 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
75°C expand Show data source
75-76 °C(lit.) expand Show data source
Flash Point
-.4 °F expand Show data source
-18 °C expand Show data source
Density
0.781 g/ml expand Show data source
0.781 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.435(lit.) expand Show data source
n20/D 1.436 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3295 expand Show data source
MSDS Link
Download expand Show data source
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
Risk Statements
11-65 expand Show data source
R:11-18 expand Show data source
Safety Statements
16-62 expand Show data source
S:9-16-29 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H304 expand Show data source
GHS Precautionary statements
P210-P301 + P310-P331 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 3295 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99.0% (GC) expand Show data source
97% expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C5H8(=CH2) expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05223620 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 251356 external link
Packaging
1, 10 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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