| Identification | More | [Name]
5-CHLORO-2-METHYLPHENYL ISOCYANATE | [CAS]
40411-27-6 | [Synonyms]
5-CHLORO-2-METHYLPHENYL ISOCYANATE
4-Chloro-2-isocyanatotoluene
4-chloro-2-isocyanato-1-methylbenzene | [EINECS(EC#)]
626-018-4 | [Molecular Formula]
C8H6ClNO | [MDL Number]
MFCD00019913 | [Molecular Weight]
167.59 | [MOL File]
40411-27-6.mol |
| Chemical Properties | Back Directory | [Boiling point ]
115 °C/5 mmHg (lit.) | [density ]
1.226 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.556(lit.)
| [Fp ]
227 °F
| [storage temp. ]
Store at 2-8 | [form ]
liquid | [color ]
Clear, colourless | [Sensitive ]
Moisture Sensitive | [BRN ]
2691112 | [InChI]
1S/C8H6ClNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3 | [InChIKey]
XEMUTFNBAICJEO-UHFFFAOYSA-N | [SMILES]
Cc1ccc(Cl)cc1N=C=O | [CAS DataBase Reference]
40411-27-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [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 ]
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 . | [RIDADR ]
UN 2206 6.1/PG 3
| [WGK Germany ]
3
| [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 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Uses]
5-Chloro-2-methylphenyl isocyanate may be used in the synthesis of:
- N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-thiourea
- N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-urea
- 5-chloro-2-methylphenylcarbamoylated cyclodextrin (CD) chiral stationary phase (CSP)
| [General Description]
5-Chloro-2-methylphenyl isocyanate, also known as 4-chloro-2-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group. Its Raman spectra, infrared spectra, ab initio and density functional theory (DFT) calculations have been reported. |
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