1-Bromo-4-(1-Isocyanatoethyl)Benzene
[CAS# 207974-15-0]

Identification

• Name: 1-Bromo-4-(1-Isocyanatoethyl)Benzene
• Synonyms: (±)-1-(4-Bromophenyl)ethyl isocyanate; (±)-1-(4-BROMOPHENYL)ETHYLISOCYANATE; (R)-(+)-1-(4-BROMOPHENYL)ETHYL ISOCYANATE
• Molecular Formula: C₉H₈BrNO
• Molecular Weight: 226.07
• CAS Registry Number: 207974-15-0
• SMILES: CC(C1=CC=C(C=C1)Br)N=C=O
• InChI: 1S/C9H8BrNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3
• InChIKey: AKVAGWOVWQDTAF-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 276.3±23.0°C at 760 mmHg (Cal.)
• Flash point: 120.9±22.6°C (Cal.)
• Refractive index: 1.562 (Cal.)

Safety Data

• Safety Code: S23;S26;S36/37;S45
• Risk Code: R20/22;R36/37/38;R42
• Hazard Symbol: X
• Transport Information: UN2206
• Safety Description: HARMFUL / IRRITANT