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25784-91-2 molecular structure
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2-chloro-5-nitrobenzoyl chloride

ChemBase ID: 7624
Molecular Formular: C7H3Cl2NO3
Molecular Mass: 220.00962
Monoisotopic Mass: 218.94899832
SMILES and InChIs

SMILES:
c1(ccc(c(C(=O)Cl)c1)Cl)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)Cl)Cl
InChI:
InChI=1S/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H
InChIKey:
OGLKKYALUKXVPQ-UHFFFAOYSA-N

Cite this record

CBID:7624 http://www.chembase.cn/molecule-7624.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-nitrobenzoyl chloride
IUPAC Traditional name
2-chloro-5-nitrobenzoyl chloride
Synonyms
2-Chloro-5-nitrobenzoyl chloride
2-Chloro-5-nitrobenzoylchloride
2-Chloro-5-nitrobenzoyl chloride
2-氯-5-硝基苯甲酰氯
CAS Number
25784-91-2
EC Number
247-262-4
MDL Number
MFCD00059180
Beilstein Number
2213721
PubChem SID
160970931
PubChem CID
117637

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7081873  LogD (pH = 7.4) 2.7081873 
Log P 2.7081873  Molar Refractivity 48.298 cm3
Polarizability 18.076847 Å3 Polar Surface Area 60.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
58°C expand Show data source
58-60°C expand Show data source
Boiling Point
157-158°C/11mm expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
MOISTURE SENSITIVE, CORROSIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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