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Chloronitromethane

Chloronitromethane structure

CAS No:
1794-84-9
Formula:
CH2ClNO2
Chemical Name:
Chloronitromethane
Synonyms:
Methane,chloronitro-;Chloronitromethane
Categories:
Chemical Reagents > Organic Reagents

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Chloronitromethane Basic Attributes

Molecular Weight：

95.48508

Exact Mass：

95.49

EC Number：

217-265-5

DSSTox ID：

DTXSID30170801

HScode：

2904909090

Characteristics

PSA：

45.8

XLogP3：

0.49

Density：

1.472 g/cm³ @ Temp: 20 °C

Boiling Point：

122.5 °C

Flash Point：

24.7±19.8 °C

Refractive Index：

1.4210 (estimate)

Water Solubility：

0.52 M

Drug Information

MeSH Entry Terms：

chloronitromethane

Chloronitromethane Use and Manufacturing

A nitrogenous disinfection byproducts (N-DBPs) found in drinking water. Mutagenic in Salmonella and potent inducers of DNA strand breaks in mammalian cells.

Computed Properties

Molecular Weight:95.48
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Exact Mass:94.9774060
Monoisotopic Mass:94.9774060
Topological Polar Surface Area:45.8
Heavy Atom Count:5
Complexity:39.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes