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Nitrosobenzene

Nitrosobenzene structure

CAS No:
586-96-9
Formula:
C6H5NO
Chemical Name:
Nitrosobenzene
Synonyms:
Benzene,nitroso-;Nitrosobenzene;NSC 66479
Categories:
Analytical Chemistry > Standard

Description

light yellow solid

Nitrosobenzene is a nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene. It has a role as a xenobiotic metabolite. It is a nitroso compound and a member of benzenes. It derives from a benzene.

Nitrosobenzene Basic Attributes

Molecular Weight：

107.11

Exact Mass：

107.11

EC Number：

209-591-1

UNII：

ZI9W9E8G2Z

NSC Number：

66479

DSSTox ID：

DTXSID7060417

HScode：

29042000

Characteristics

PSA：

29.4

XLogP3：

2.01

Density：

1.0±0.1 g/cm3

Melting Point：

68.5 °C

Boiling Point：

58 °C

Flash Point：

56.3±24.1 °C

Refractive Index：

1.529

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

20/21-25

safety instructions：

26-36/37-45

RTECS Number：

DA6497525

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P280-P301 + P310

Hazard Statements：

H301-H312-H332

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

nitrosobenzene

Nitrosobenzene Use and Manufacturing

Uses

Spin trap reagent. Has been used in the study of oxidative DNA damage and nitroso-compound-induced respiratory burst in neutrophils3,4.

Manufacturing Info：

Benzene, nitroso-: ACTIVE

Computed Properties

Molecular Weight:107.11
XLogP3:2
Hydrogen Bond Acceptor Count:2
Exact Mass:107.037113783
Monoisotopic Mass:107.037113783
Topological Polar Surface Area:29.4
Heavy Atom Count:8
Complexity:76.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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