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12083-24-8 molecular structure
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tris(methanidylidyneoxidanium) toluene chromium

ChemBase ID: 137859
Molecular Formular: C10H8CrO3
Molecular Mass: 228.16482
Monoisotopic Mass: 227.98785162
SMILES and InChIs

SMILES:
Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
Canonical SMILES:
Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI:
InChI=1S/C7H8.3CO.Cr/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;;;;
InChIKey:
KEXFCQUTYPQKCG-UHFFFAOYSA-N

Cite this record

CBID:137859 http://www.chembase.cn/molecule-137859.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(methanidylidyneoxidanium) toluene chromium
IUPAC Traditional name
tris(carbon monoxide) toluene chromium
Synonyms
(Toluene)tricarbonylchromium(0)
(甲苯)三羰基铬(0)
CAS Number
12083-24-8
EC Number
235-148-7
MDL Number
MFCD00010583
PubChem SID
24874572
162232120
PubChem CID
11172208

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
526703 external link Add to cart Please log in.
Data Source Data ID
PubChem 11172208 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4866672  LogD (pH = 7.4) 2.4866672 
Log P 2.4866672  Molar Refractivity 31.0992 cm3
Polarizability 12.165111 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
78-82 °C(lit.) expand Show data source
Flash Point
168.8 °F expand Show data source
76 °C expand Show data source
RTECS
GB7370000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1325 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-20/21/22 expand Show data source
Safety Statements
16-36 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H302-H312-H332 expand Show data source
GHS Precautionary statements
P210-P280 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1325 4.1/PG 2 expand Show data source
Linear Formula
C6H5CH3Cr(CO)3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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