ChemicalBook--->CAS DataBase List--->614-68-6

614-68-6

614-68-6 Structure

614-68-6 Structure
IdentificationMore
[Name]

2-Methylphenyl isocyanate
[CAS]

614-68-6
[Synonyms]

2-METHYLPHENYL ISOCYANATE
2-TOLYL ISOCYANATE
ISOCYANIC ACID O-TOLYL ESTER
O-TOLYL ISOCYANATE
1-isocyanato-2-methyl-benzen
1-Isocyanato-2-methylbenzene
1-isocyanato-2-methyl-Benzene
isocyanatedeo-toluene
o-Methylphenyl isocyanate
o-methylphenylisocyanate
o-tmi
o-Toluene isocyanate
o-tolueneisocyanate
AROCLOR 1221, 1X1ML, HEXANE 1000UG/ML
O-TOLYL ISOCYANATE, 99+%
ORTHO-TOLUENEISOCYANATE
2-Methylphenylisocyanat
BENZENE,1-ISOCYANATO-2-METHYL
o-Tolylcarbonimide
[EINECS(EC#)]

210-389-0
[Molecular Formula]

C8H7NO
[MDL Number]

MFCD00002009
[Molecular Weight]

133.15
[MOL File]

614-68-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Boiling point ]

185 °C (lit.)
[density ]

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

n20/D 1.535(lit.)
[Fp ]

198 °F
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Water Solubility ]

Hydrolyzes in water.
[Sensitive ]

Moisture Sensitive
[BRN ]

507985
[InChI]

1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
[InChIKey]

VAYMIYBJLRRIFR-UHFFFAOYSA-N
[SMILES]

Cc1ccccc1N=C=O
[CAS DataBase Reference]

614-68-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-isocyanato-2-methyl-(614-68-6)
[EPA Substance Registry System]

614-68-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[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 .
R42:May cause sensitization by inhalation.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2206 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

DA3678333
[F ]

19-21
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29299010
[Storage Class]

10 - Combustible liquids
[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
Hazard InformationBack Directory
[Hazard]

A poison by inhalation. Moderately toxic by ingestion.
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

o-?Tolyl Isocyanate is a reagent used in the synthesis of beta-lactams with a 4-?alkylidene side chain attached which displays antibacterial activity.
[Definition]

ChEBI: An isocyanate comprising a benzene core with isocyanato- and methyl substituents ortho to each other.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylphenyl isocyanate(614-68-6)MS
2-Methylphenyl isocyanate(614-68-6)1HNMR
2-Methylphenyl isocyanate(614-68-6)13CNMR
2-Methylphenyl isocyanate(614-68-6)IR1
2-Methylphenyl isocyanate(614-68-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

o-Tolyl isocyanate, 99+%(614-68-6)
[Alfa Aesar]

o-Tolyl isocyanate, 98%(614-68-6)
[Sigma Aldrich]

614-68-6(sigmaaldrich)
[TCI AMERICA]

o-Tolyl Isocyanate,>98.0%(GC)(614-68-6)
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