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7603-37-4 molecular structure
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2,3,4,7-tetrahydro-1H-indene

ChemBase ID: 150909
Molecular Formular: C9H12
Molecular Mass: 120.19158
Monoisotopic Mass: 120.09390038
SMILES and InChIs

SMILES:
C1CC2=C(C1)CC=CC2
Canonical SMILES:
C1CC2=C(C1)CC=CC2
InChI:
InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2H,3-7H2
InChIKey:
PJEOOBRBALZZSL-UHFFFAOYSA-N

Cite this record

CBID:150909 http://www.chembase.cn/molecule-150909.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,4,7-tetrahydro-1H-indene
IUPAC Traditional name
2,3,4,7-tetrahydro-1H-indene
Synonyms
Bicyclo[4.3.0]nona-3,6(1)-diene
双环[4.3.0]九硝基三联苯-3,6(1)-二烯
CAS Number
7603-37-4
EC Number
231-514-5
MDL Number
MFCD00003776
PubChem SID
162245069
24848949
PubChem CID
82076

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
149373 external link Add to cart Please log in.
Data Source Data ID
PubChem 82076 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.411134  LogD (pH = 7.4) 2.411134 
Log P 2.411134  Molar Refractivity 41.202 cm3
Polarizability 15.418333 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
178 °C(lit.) expand Show data source
Flash Point
10 °C expand Show data source
50 °F expand Show data source
Density
0.931 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.508(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1993 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 expand Show data source
Safety Statements
16-29-33 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 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 1993 3/PG 2 expand Show data source
Purity
85% expand Show data source
Grade
technical grade expand Show data source
Empirical Formula (Hill Notation)
C9H12 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 149373 external link
Other Notes
remainder indan
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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