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2-Nitro-1-phenylethanone

2-Nitro-1-phenylethanone structure

CAS No:
614-21-1
Formula:
C8H7NO3
Chemical Name:
2-Nitro-1-phenylethanone
Synonyms:
Ethanone,2-nitro-1-phenyl-;Acetophenone,2-nitro-;2-Nitro-1-phenylethanone;α-Nitroacetophenone;ω-Nitroacetophenone;Nitromethyl phenyl ketone;Benzoylnitromethane;α-Nitro-2-phenyl-2-ethanone;NSC 4509;Phenyl nitromethyl ketone;2-Nitro-1-phenylethan-1-one
Categories:
Chemical Reagents > Organic Reagents

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Description

white waxy crystalline powder or flakes

2-Nitro-1-phenylethanone Basic Attributes

Molecular Weight：

165.15

Exact Mass：

165.15

NSC Number：

4509

HScode：

2914700090

Characteristics

PSA：

62.9

XLogP3：

1.68

Appearance：

Clear colorless or yellow to red to brown Liquid

Density：

1.2±0.1 g/cm3

Melting Point：

105-106 °C

Boiling Point：

298.6±23.0 °C at 760 mmHg

Flash Point：

146.9±15.4 °C

Refractive Index：

1.545

Storage Conditions：

Refrigerator (+4°C)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:165.15
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.042593085
Monoisotopic Mass:165.042593085
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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BENZOYLNITROMETHANE

CAS No.: 614-21-1

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