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3-Nitrobiphenyl

3-Nitrobiphenyl structure

CAS No:
2113-58-8
Formula:
C12H9NO2
Chemical Name:
3-Nitrobiphenyl
Synonyms:
1,1′-Biphenyl,3-nitro-;Biphenyl,3-nitro-;3-Nitro-1,1′-biphenyl;3-Nitrobiphenyl;m-Nitrobiphenyl;3-Nitrodiphenyl;NSC 408697;3-Phenylnitrobenzene;3′-Nitrobiphenyl;m-Nitrophenyl benzene;1-Nitro-3-phenylbenzene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

yellow crystalline powder

3-Nitrobiphenyl Basic Attributes

Molecular Weight：

199.209

Exact Mass：

199.21

EC Number：

218-305-4

NSC Number：

408697

DSSTox ID：

DTXSID00175363

HScode：

2904209090

Characteristics

PSA：

45.8

XLogP3：

3.78500

Density：

1.196g/cm3

Melting Point：

62 °C

Boiling Point：

227 °C

Flash Point：

227°C/35mm

Refractive Index：

1.605

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R40

safety instructions：

S36

RTECS Number：

DV5570000

Marks：

Xn:Harmful;

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

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, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 47 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:199.20
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:199.063328530
Monoisotopic Mass:199.063328530
Topological Polar Surface Area:45.8
Heavy Atom Count:15
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes