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Phenylnitromethane

Phenylnitromethane structure

CAS No:
622-42-4
Formula:
C7H7NO2
Chemical Name:
Phenylnitromethane
Synonyms:
Benzene,(nitromethyl)-;Toluene,α-nitro-;(Nitromethyl)benzene;Phenylnitromethane;Nitrophenylmethane;α-Nitrotoluene;NSC 3439
Categories:
Chemical Reagents > Organic Reagents

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Phenylnitromethane Basic Attributes

Molecular Weight：

137.136

Exact Mass：

137.14

NSC Number：

3439

DSSTox ID：

DTXSID7074294

HScode：

2904209090

Characteristics

PSA：

45.82000

XLogP3：

1.75

Density：

1.654 g/cm³

Melting Point：

80.7 °C @ Solvent: Ethanol

Boiling Point：

226 °C

Flash Point：

100.0±11.5 °C

Refractive Index：

1.540

Safety Information

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

Computed Properties

Molecular Weight:137.14
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:137.047678466
Monoisotopic Mass:137.047678466
Topological Polar Surface Area:45.8
Heavy Atom Count:10
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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