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1-Naphthyl isocyanate

1-Naphthyl isocyanate structure

CAS No:
86-84-0
Formula:
C11H7NO
Chemical Name:
1-Naphthyl isocyanate
Synonyms:
Naphthalene,1-isocyanato-;Isocyanic acid,1-naphthyl ester;1-Isocyanatonaphthalene;α-Naphthyl isocyanate;1-Naphthyl isocyanate;1-Naphthalene isocyanate;Naphthalen-1-ylisocyanate;NSC 4023
Categories:
Chemical Reagents > Organic Reagents

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Description

colourless or slightly yellow liquid

1-Naphthyl isocyanate Basic Attributes

Molecular Weight：

169.18

Exact Mass：

169.18

BRN：

742779

EC Number：

201-703-7

UNII：

5LH2P0691E

NSC Number：

4023

DSSTox ID：

DTXSID9058949

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

3.7

Appearance：

colourless or slightly yellow liquid

Density：

1.1±0.1 g/cm3

Melting Point：

<25 °C

Boiling Point：

269 °C

Flash Point：

-1 °F

Refractive Index：

1.588

Water Solubility：

Miscible with alcohol, chloroform and diethyl ether.

Storage Conditions：

0-10°C

Vapor Pressure：

168.8 mm Hg ( 37.7 °C)

Vapor Density：

2.9 (vs air)

Flammability characteristics：

Open flame is flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

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

safety instructions：

9-16-25-33-60-61-62-36/37/39-26-45-27-23

RTECS Number：

GU6300000

Marks：

Storage features：

Low temperature, ventilated, dry warehouse; moisture-proof; fire-proof; stored separately from oxidants

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, alcohols.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302 + H312 + H332-H315-H319-H334-H335

GHS Classification：

|Danger|H302+H312+H332 (48.15%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 81 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-isocyanatonaphthalene

1-Naphthyl isocyanate Use and Manufacturing

Uses

It is mainly used as an intermediate for medicines and pesticides.

Manufacturing Info：

Naphthalene, 1-isocyanato-: ACTIVE

Computed Properties

Molecular Weight:169.18
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:169.052763847
Monoisotopic Mass:169.052763847
Topological Polar Surface Area:29.4
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ammonium chloride

1-Naphthylamine

Hydrochloric acid

1,2-Dichlorobenzene

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