Home > Compound List > Compound details
39499-34-8 molecular structure
click picture or here to close

5-methyl-1,2-oxazole-3-carbonyl chloride

ChemBase ID: 56284
Molecular Formular: C5H4ClNO2
Molecular Mass: 145.54376
Monoisotopic Mass: 144.99305605
SMILES and InChIs

SMILES:
c1(noc(c1)C)C(=O)Cl
Canonical SMILES:
Cc1cc(no1)C(=O)Cl
InChI:
InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3
InChIKey:
XMVNMWDLOGSUSM-UHFFFAOYSA-N

Cite this record

CBID:56284 http://www.chembase.cn/molecule-56284.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-1,2-oxazole-3-carbonyl chloride
IUPAC Traditional name
5-methyl-1,2-oxazole-3-carbonyl chloride
Synonyms
5-Methylisoxazole-3-carbonyl chloride
5-Methylisoxazole-3-carbonyl chloride
5-甲基异噁唑-3-甲酰氯
CAS Number
39499-34-8
EC Number
254-475-6
MDL Number
MFCD00085127
PubChem SID
162061047
PubChem CID
2736894

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1141154  LogD (pH = 7.4) 1.1141155 
Log P 1.1141155  Molar Refractivity 33.3924 cm3
Polarizability 12.026459 Å3 Polar Surface Area 43.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
1.25 expand Show data source
Storage Warning
Corrosive expand Show data source
IRRITANT expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3094 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
3-20-23-26-36/37/39-45 expand Show data source
TSCA Listed
false 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
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle