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3-Nitrophenyl isocyanate

3-Nitrophenyl isocyanate structure

CAS No:
3320-87-4
Formula:
C7H4N2O3
Chemical Name:
3-Nitrophenyl isocyanate
Synonyms:
Benzene,1-isocyanato-3-nitro-;Isocyanic acid,m-nitrophenyl ester;1-Isocyanato-3-nitrobenzene;m-Nitrophenyl isocyanate;3-Nitrophenyl isocyanate;1-Nitro-3-isocyanatobenzene;NSC 5385
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow crystalline solid

3-Nitrophenyl isocyanate Basic Attributes

Molecular Weight：

164.12

Exact Mass：

164.12

EC Number：

222-025-8

NSC Number：

5385

DSSTox ID：

DTXSID5062976

HScode：

29291090

Characteristics

PSA：

75.2

XLogP3：

2.08530

Appearance：

Yellow Crystalline Solid

Density：

1.32 g/cm3

Melting Point：

51 °C

Boiling Point：

130-131 °C @ Press: 11 Torr

Flash Point：

>230 °F

Refractive Index：

1.589

Storage Conditions：

0-6°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

wgk germany：

hazard class code：

22-36/37/38-42/43

safety instructions：

22-26-36/37-45

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H315-H319-H334-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Nitrophenyl isocyanate Use and Manufacturing

Manufacturing Info：

Benzene, 1-isocyanato-3-nitro-: INACTIVE

Computed Properties

Molecular Weight:164.12
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:164.02219199
Monoisotopic Mass:164.02219199
Topological Polar Surface Area:75.2
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Nitrophenyl isocyanate

CAS No.: 3320-87-4

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