409502

1,3-Bis(1-isocyanato-1-methylethyl)benzene

<1.0% 2-(3-(prop-1-en-2-yl)phenyl)prop-2-yl isocyanate, 97%

• Synonym(s): α,α,α′,α′-Tetramethyl-1,3-xylylene diisocyanate
• Linear Formula: C₆H₄[C(CH₃)₂NCO]₂
• CAS Number: 2778-42-9
• Molecular Weight: 244.29
• EC Number: 220-474-4
• MDL number: MFCD00142493
• UNSPSC Code: 12162002
• PubChem Substance ID: 24865653
• NACRES: NA.23

Properties

• Quality Level: 100
• assay: 97%
• form: liquid
• impurities: <1.0% 2-(3-(prop-1-en-2-yl)phenyl)prop-2-yl isocyanate
• refractive index: n20/D 1.511 (lit.)
• bp: 106 °C/0.9 mmHg (lit.)
• density: 1.06 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(N=C=O)c1cccc(c1)C(C)(C)N=C=O
• InChI: 1S/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3
• InChI key: AZYRZNIYJDKRHO-UHFFFAOYSA-N

Safety Information

• pictograms: GHS06,GHS08,GHS09
• signalword: Danger
• hcodes: H315,H317,H319,H330,H334,H372,H410
• pcodes: P260 - P273 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1A - STOT RE 1 Inhalation
• target_organs: Respiratory system
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 334.4 °F - closed cup
• flash_point_c: 168 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter