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3-Nitrobenzophenone

3-Nitrobenzophenone structure

CAS No:
2243-80-3
Formula:
C13H9NO3
Chemical Name:
3-Nitrobenzophenone
Synonyms:
Methanone,(3-nitrophenyl)phenyl-;Benzophenone,3-nitro-;(3-Nitrophenyl)phenylmethanone;m-Nitrobenzophenone;3-Nitrobenzophenone;NSC 37083
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

tan to light brown crystalline powder

3-Nitrobenzophenone Basic Attributes

Molecular Weight：

227.219

Exact Mass：

227.22

EC Number：

218-819-9

NSC Number：

37083

DSSTox ID：

DTXSID80176959

HScode：

2914700090

Characteristics

PSA：

62.9

XLogP3：

3.01

Appearance：

White solid.

Density：

1.3±0.1 g/cm3

Melting Point：

95 °C

Boiling Point：

234 °C @ Press: 18 Torr

Flash Point：

181.9±16.0 °C

Refractive Index：

1.615

Vapor Pressure：

6.52E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

S37/39-S26

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:227.21
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:227.058243149
Monoisotopic Mass:227.058243149
Topological Polar Surface Area:62.9
Heavy Atom Count:17
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes