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CAS No.: | 19527-13-0 |
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Name: | Nitromethylene |
Molecular Structure: | |
Formula: | CHNO2 |
Molecular Weight: | 61.04 |
Synonyms: | Nitrocarbene;Nitromethylene; |
Density: | 1.055 g/cm3 |
Boiling Point: | 85.1 °C at 760 mmHg |
Flash Point: | 22.7 °C |
The Methylene, nitro-(8CI,9CI), with the CAS registry number 19527-13-0, is also known as Nitrocarbene. This chemical's molecular formula is CHNO2 and molecular weight is 61.04. What's more, its systematic name and its IUPAC name are the same which is called Nitromethane.
Physical properties about Methylene, nitro-(8CI,9CI): (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18.65; (5)ACD/KOC (pH 7.4): 18.62; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 45.82 Å2; (10)Flash Point: 22.7 °C; (11)Enthalpy of Vaporization: 31.2 kJ/mol; (12)Boiling Point: 85.1 °C at 760 mmHg; (13)Vapour Pressure: 78.6 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [CH]N(=O)=O
(2) InChI: InChI=1/CHNO2/c1-2(3)4/h1H
(3) InChIKey: AFMIYEXCCPCEKD-UHFFFAOYAD
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | oral | 130mg/kg (130mg/kg) | PERIPHERAL NERVE AND SENSATION: FASCICULATIONS | National Technical Information Service. Vol. OTS0554066, |