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1192-37-6 molecular structure
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methylidenecyclohexane

ChemBase ID: 128363
Molecular Formular: C7H12
Molecular Mass: 96.17018
Monoisotopic Mass: 96.09390038
SMILES and InChIs

SMILES:
C=C1CCCCC1
Canonical SMILES:
C=C1CCCCC1
InChI:
InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
InChIKey:
YULMNMJFAZWLLN-UHFFFAOYSA-N

Cite this record

CBID:128363 http://www.chembase.cn/molecule-128363.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methylidenecyclohexane
IUPAC Traditional name
methylenecyclohexane
Synonyms
Methylenecyclohexane
Methylenecyclohexane
亚甲基环己烷
CAS Number
1192-37-6
EC Number
214-752-4
MDL Number
MFCD00001661
Beilstein Number
773760
PubChem SID
162222671
24846870
PubChem CID
14502
Chemspider ID
13846
Wikipedia Title
Methylenecyclohexane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
111015 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6067853  LogD (pH = 7.4) 2.6067853 
Log P 2.6067853  Molar Refractivity 31.9321 cm3
Polarizability 12.70021 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
102-103 °C(lit.) expand Show data source
Flash Point
-2 °C expand Show data source
28.4 °F expand Show data source
Density
0.8 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.449(lit.) 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
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
Safety Statements
16-23-24/25-62 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
98% expand Show data source
Linear Formula
C6H10(=CH2) expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 111015 external link
Packaging
1, 5 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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