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1-Nitro-2-phenylethane

1-Nitro-2-phenylethane structure

CAS No:
6125-24-2
Formula:
C8H9NO2
Chemical Name:
1-Nitro-2-phenylethane
Synonyms:
Benzene,(2-nitroethyl)-;(2-Nitroethyl)benzene;1-Nitro-2-phenylethane;1-Phenyl-2-nitroethane;2-Phenylnitroethane;β-Phenylnitroethane;2-Phenyl-1-nitroethane;ω-Nitroethylbenzene;NSC 23854;1-(2-Nitroethyl)benzene
Categories:
Pharmaceutical Intermediates > Respiratory Tract

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1-Nitro-2-phenylethane Basic Attributes

Molecular Weight：

151.163

Exact Mass：

151.16

EC Number：

228-094-0

NSC Number：

23854

DSSTox ID：

DTXSID30210155

HScode：

2904209090

Characteristics

PSA：

45.82000

XLogP3：

2.08

Density：

1.122 g/cm³ @ Temp: 25 °C

Melting Point：

-23 °C

Boiling Point：

250 °C

Flash Point：

118.8±14.3 °C

Refractive Index：

1.532

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1-nitro-2-phenylethane

Computed Properties

Molecular Weight:151.16
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:151.063328530
Monoisotopic Mass:151.063328530
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes