ChemicalBook--->CAS DataBase List--->28556-81-2

28556-81-2

28556-81-2 Structure

28556-81-2 Structure
IdentificationMore
[Name]

2,6-Dimethylphenyl isocyanate
[CAS]

28556-81-2
[Synonyms]

2,6-DIMETHYLPHENYL ISOCYANATE
ISOCYANIC ACID 2,6-DIMETHYLPHENYL ESTER
2-isocyanato-1,3-dimethyl-benzen
2-Isocyanato-1,3-dimethylbenzene
Benzene, 2-isocyanato-1,3-dimethyl-
2,6-DIMETHYLPHENYL ISOCYANATE 99%
2,6-Xylyl isocyanate
Isocyanic acid, 2,6-xylyl ester
[Molecular Formula]

C9H9NO
[MDL Number]

MFCD00002012
[Molecular Weight]

147.17
[MOL File]

28556-81-2.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow liquid
[Boiling point ]

87-89 °C (12 mmHg)
[density ]

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

1.5346-1.5366
[Fp ]

86 °C
[storage temp. ]

0-6°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[Specific Gravity]

1.057
[Sensitive ]

Moisture Sensitive
[BRN ]

742593
[InChI]

1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
[InChIKey]

YQLRKXVEALTVCZ-UHFFFAOYSA-N
[SMILES]

Cc1cccc(C)c1N=C=O
[CAS DataBase Reference]

28556-81-2(CAS DataBase Reference)
[NIST Chemistry Reference]

2,6-Dimethylphenyl isocyanate(28556-81-2)
[EPA Substance Registry System]

28556-81-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R42:May cause sensitization by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
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 .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S37/39:Wear suitable gloves and eye/face protection .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

2206
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2929100090
[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]

Ethyl N-(2,6-xylyl)carbamate-->2,6-Dimethylaniline hydrochloride-->carbon monoxide-->Carbon dioxide-->Di-tert-butyl dicarbonate-->2,6-Dimethylaniline-->Triphosgene-->2,6-Dimethyl-1-nitrobenzene-->Phosgene
[Preparation Products]

Urea, N-(2,6-dimethylphenyl)-N'-[imino(methylamino)methyl]--->2-Chloro-N-(2,6-dimethylphenyl)acetamide-->5α-Cholest-3-ene-->cis-Cyclododecene.-->N-tert-Butylisopropylamine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,6-Dimethylphenyl isocyanate(28556-81-2).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow liquid
[Uses]

2,6-Dimethylphenyl isocyanate has been used in the preparation of:
  • derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography
  • tris( 2,6-dimethylphenylimido)methylrhenium (VII)
  • 1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Dimethylphenyl isocyanate(28556-81-2)MS
2,6-Dimethylphenyl isocyanate(28556-81-2)1HNMR
2,6-Dimethylphenyl isocyanate(28556-81-2)13CNMR
2,6-Dimethylphenyl isocyanate(28556-81-2)IR1
2,6-Dimethylphenyl isocyanate(28556-81-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,6-Dimethylphenyl isocyanate, 98%(28556-81-2)
[Sigma Aldrich]

28556-81-2(sigmaaldrich)
[TCI AMERICA]

Isocyanic Acid 2,6-Dimethylphenyl Ester,>98.0%(GC)(28556-81-2)
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