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4-Nitrophenyl isocyanate

4-Nitrophenyl isocyanate structure

CAS No:
100-28-7
Formula:
C7H4N2O3
Chemical Name:
4-Nitrophenyl isocyanate
Synonyms:
Benzene,1-isocyanato-4-nitro-;Isocyanic acid,p-nitrophenyl ester;1-Isocyanato-4-nitrobenzene;4-Nitrophenyl isocyanate;p-Nitrophenyl isocyanate;1-Nitro-4-isocyanatobenzene;NSC 9800
Categories:
Agrochemicals > Pesticide Intermediates

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4-Nitrophenyl isocyanate Basic Attributes

Molecular Weight：

164.12

Exact Mass：

164.12

BRN：

389516

EC Number：

202-836-3

NSC Number：

9800

DSSTox ID：

DTXSID80870440

HScode：

2929109000

Characteristics

PSA：

75.2

XLogP3：

2.96

Appearance：

Yellow Crystalline Solid

Density：

1.3±0.1 g/cm3

Melting Point：

57 °C

Boiling Point：

162-164 °C

Flash Point：

>110°C

Refractive Index：

1.589

Water Solubility：

Insoluble in water.

Storage Conditions：

2-8°C

Vapor Pressure：

0.00684mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2206

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

22-26-36/37/39-45

RTECS Number：

DA3692500

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302 + H332-H315-H319-H334-H335

GHS Classification：

|Danger|H302 (97.92%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, 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 48 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Nitrophenyl isocyanate Use and Manufacturing

Methods of Manufacturing

The preparation method uses p-nitroaniline as a raw material, first generates hydrochloride with hydrogen chloride, and then enters phosgene to generate the product.

Uses

Intermediate of rodenticide rodenticide and rodenticide, used in the synthesis of medicines, pesticides and polymer materials

Manufacturing Info：

Benzene, 1-isocyanato-4-nitro-: ACTIVE

Computed Properties

Molecular Weight:164.12
XLogP3:3
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:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Carbon dioxide

Hydrochloric acid