ChemicalBook--->CAS DataBase List--->86-84-0

86-84-0

86-84-0 Structure

86-84-0 Structure
IdentificationMore
[Name]

1-Naphthyl isocyanate
[CAS]

86-84-0
[Synonyms]

1-ISOCYANATO-NAPHTHALENE
1-NAPHTHYL ISOCYANATE
1-NAPHTHYL ISOCYANATE, HIL57
alpha-Naphthyl isocyanate
A-NAPHTHYL ISOCYANATE
CYCLOHEXANE
CYCLOHEXANE-195
CYCLOHEXANE-205
HEXAHYDROBENZENE
HEXAMETHYLENE
HEXANAPHTHALENE
HEXANAPHTHENE
ISOCYANIC ACID 1-NAPHTHYL ESTER
NAPHTHENE
1-isocyanato-naphthalen
Alpha-naphthylcarbylamine
1-Naphtyl isocyanate
1-NAPHTHYL ISOCYANATE 99%
1-Naphthylisocyanate,98%
Naphthalen-1-ylisocyanate
[EINECS(EC#)]

201-703-7
[Molecular Formula]

C11H7NO
[MDL Number]

MFCD00003814
[Molecular Weight]

169.18
[MOL File]

86-84-0.mol
Chemical PropertiesBack Directory
[Appearance]

colourless or slightly yellow liquid
[Melting point ]

4 °C (lit.)
[Boiling point ]

267 °C/761 mmHg (lit.)
[density ]

1.177 g/mL at 25 °C(lit.)
[vapor density ]

2.9 (vs air)
[vapor pressure ]

168.8 mm Hg ( 37.7 °C)
[refractive index ]

n20/D 1.6344(lit.)
[Fp ]

-1 °F
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Miscible with alcohol, chloroform and diethyl ether.
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Stability:]

Stable. Incompatible with strong oxidizing agents, alcohols.
[Sensitive ]

Moisture Sensitive
[Merck ]

14,6410
[BRN ]

742779
[InChI]

1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
[InChIKey]

BDQNKCYCTYYMAA-UHFFFAOYSA-N
[SMILES]

O=C=Nc1cccc2ccccc12
[CAS DataBase Reference]

86-84-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Naphthalene, 1-isocyanato-(86-84-0)
[EPA Substance Registry System]

1-Isocyanatonaphthalene (86-84-0)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H315-H317-H319-H334-H335
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S25:Avoid contact with eyes .
S33:Take precautionary measures against static discharges .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

GU6300000
[F ]

3-10
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29291090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ammonium chloride-->1,2-Dichlorobenzene-->Triphosgene-->1-Naphthylamine
[Preparation Products]

1-Amino-8-naphthoic acid-->N-(Naphthalen-1-yl)carbamic acid 2-fluoroethyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Isocyanatonaphthalene(86-84-0).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless or slightly yellow liquid
[Uses]

1-Naphthyl isocyanate is used in the preparation of cationic aromatic urethane. It is useful for the study of cholangiolitic hepatotoxicity in laboratory animals. It is also employed as separate enantiomers of beta-blockers.
[Synthesis Reference(s)]

Synthetic Communications, 23, p. 335, 1993 DOI: 10.1080/00397919308009785
[Purification Methods]

Distil the isocyanate at atmospheric pressure or in a vacuum. It can be crystallised from pet ether (b 60-70o) at low temperature. It has a pungent odour, is TOXIC and is absorbed through the skin. [Beilstein 12 H 1244, 12 III 2948.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Naphthyl isocyanate(86-84-0)1HNMR
1-Naphthyl isocyanate(86-84-0)13CNMR
1-Naphthyl isocyanate(86-84-0)IR1
1-Naphthyl isocyanate(86-84-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Naphthyl isocyanate, 99%(86-84-0)
[Alfa Aesar]

1-Naphthyl isocyanate, 98%(86-84-0)
[Sigma Aldrich]

86-84-0(sigmaaldrich)
[TCI AMERICA]

1-Naphthyl Isocyanate,>99.0%(GC)(86-84-0)
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