ChemicalBook--->CAS DataBase List--->5416-93-3

5416-93-3

5416-93-3 Structure

5416-93-3 Structure
IdentificationMore
[Name]

4-Methoxyphenyl isocyanate
[CAS]

5416-93-3
[Synonyms]

4-METHOXYPHENYL ISOCYANATE
ISOCYANIC ACID 4-METHOXYPHENYL ESTER
P-METHOXYPHENYL ISOCYANATE
1-isocyanato-4-methoxy-benzen
1-Isocyanato-4-methoxybenzene
1-Isocyanato-4-methoxy-benzene
Benzene, 1-isocyanato-4-methoxy-
Isocyanic acid, p-methoxyphenyl ester
p-Anisyl isocyanate
p-Methoxyphenyl 1socyanate
4-Methoxyphenylisocyanate,98%
PARA-METHOXYPHENYLISOCYANATE
4-Methoxyisocyanatobenzene
4-Anisyl isocyanate
[EINECS(EC#)]

226-513-1
[Molecular Formula]

C8H7NO2
[MDL Number]

MFCD00002026
[Molecular Weight]

149.15
[MOL File]

5416-93-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

101 °C
[Boiling point ]

106-110 °C16 mm Hg(lit.)
[density ]

1.151 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.548(lit.)
[Fp ]

209 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

soluble in Chloroform, Methanol
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

1.151
[Sensitive ]

Moisture Sensitive
[BRN ]

471920
[InChI]

1S/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
[InChIKey]

FMDGXCSMDZMDHZ-UHFFFAOYSA-N
[SMILES]

COc1ccc(cc1)N=C=O
[CAS DataBase Reference]

5416-93-3(CAS DataBase Reference)
[NIST Chemistry Reference]

P-methoxy phenyl isocyanate(5416-93-3)
[EPA Substance Registry System]

5416-93-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H314-H317-H334
[Precautionary statements ]

P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[F ]

10-21
[TSCA ]

Yes
[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 Dam. 1
Resp. Sens. 1
Skin Corr. 1B
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Triethylamine-->Benzene-->p-Anisidine-->Triphosgene-->Methyl N-(4-methoxyphenyl)carbamate-->N-hydroxy-4-methoxybenzamide-->4-Methoxyphenyl isocyanide-->carbon monoxide-->4-Nitroanisole-->1,1'-Carbonyldiimidazole-->4-Methoxybenzoic acid
[Preparation Products]

4-(4-Methoxyphenyl)-1-(4-pyridylcarbonyl)semicarbazide-->Benzeneacetamide, a-hydroxy-N-(4-methoxyphenyl)--->3-amino-1-(4-methoxyphenyl)urea-->Carbamic acid, (4-methoxyphenyl)-, phenylmethyl ester (9CI)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Methoxyphenyl isocyanate(5416-93-3).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

4-Methoxyphenyl isocyanate has been used in the preparation of:
  • 6H-indolo[2,3-b]quinolines
  • 1-[2-(2-furyl)-8-methyl-9-substituted-8H-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c] pyrimidin-5-yl]-3-(4-methoxyphenyl)urea
[Synthesis Reference(s)]

Tetrahedron Letters, 17, p. 2691, 1976 DOI: 10.1016/S0040-4039(00)77797-5
[General Description]

Cyclotrimerization of 4-methoxyphenyl isocyanate by CO2-protected N-heterocyclic carbenes based on tetrahydropyrimidin-2-ylidenes has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methoxyphenyl isocyanate(5416-93-3)MS
4-Methoxyphenyl isocyanate(5416-93-3)1HNMR
4-Methoxyphenyl isocyanate(5416-93-3)13CNMR
4-Methoxyphenyl isocyanate(5416-93-3)IR1
4-Methoxyphenyl isocyanate(5416-93-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Methoxyphenyl isocyanate, 99%(5416-93-3)
[Alfa Aesar]

4-Methoxyphenyl isocyanate, 98%(5416-93-3)
[Sigma Aldrich]

5416-93-3(sigmaaldrich)
[TCI AMERICA]

4-Methoxyphenyl Isocyanate,>98.0%(GC)(5416-93-3)
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