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2,2′-Dinitrobiphenyl

2,2′-Dinitrobiphenyl structure

CAS No:
2436-96-6
Formula:
C12H8N2O4
Chemical Name:
2,2′-Dinitrobiphenyl
Synonyms:
1,1′-Biphenyl,2,2′-dinitro-;Biphenyl,2,2′-dinitro-;2,2′-Dinitro-1,1′-biphenyl;2,2′-Dinitrobiphenyl;NSC 13356;1-Nitro-2-(2-nitrophenyl)benzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

light yellow to beige crystalline powder

2,2'-dinitrobiphenyl is biphenyl substituted with nitro groups at the 2- and 2'-positions. It is a member of biphenyls and a C-nitro compound.

2,2′-Dinitrobiphenyl Basic Attributes

Molecular Weight：

244.2

Exact Mass：

244.20

BRN：

1579851

EC Number：

219-435-4

UNII：

SLW94EVQ4P

NSC Number：

13356

DSSTox ID：

DTXSID40179103

HScode：

2904209090

Characteristics

PSA：

91.6

XLogP3：

3.07

Appearance：

light yellow to beige crystalline powder

Density：

1.50 g/cm³

Melting Point：

126 °C

Boiling Point：

305 °C

Flash Point：

305°C

Refractive Index：

1.636

Water Solubility：

Insoluble in water

Storage Conditions：

Store below +30°C.

Vapor Pressure：

7.25E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:244.20
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:244.04840674
Monoisotopic Mass:244.04840674
Topological Polar Surface Area:91.6
Heavy Atom Count:18
Complexity:291
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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