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Butyl 4-Isocyanatobenzoate
[CAS# 102561-47-7]

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Identification
Name Butyl 4-Isocyanatobenzoate
Synonyms 4- PHENYLISOCYANATE; 4-(Carbobutoxy)phenyl isocyanate; 4-(n-Butoxycarbonyl)Phenyl Isocyanate
Molecular Structure CAS#: 102561-47-7, Butyl 4-Isocyanatobenzoate
Molecular Formula C12H13NO3
Molecular Weight 219.24
CAS Registry Number 102561-47-7
SMILES CCCCOC(=O)C1=CC=C(C=C1)N=C=O
InChI 1S/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3
InChIKey PVCGQSQNUXNTNA-UHFFFAOYSA-N
Properties
Density 1.1±0.1g/cm3 (Cal.)
1.105 (Expl.)
Boiling point 295°C (Expl.)
312.6±25.0°C at 760 mmHg (Cal.)
Flash point 133.0±17.6°C (Cal.)
110°C (Expl.)
Refractive index 1.5275 (Expl.)
1.518 (Cal.)
Safety Data
Safety Code S23;S26;S36/37;S45  Details
Risk Code R20/22;R36/37/38;R42  Details
Hazard Symbol symbol  X  Details
Transport Information UN2206
Safety Description HARMFUL / IRRITANT
DANGER: POISON, irritates skin, eyes, lungs
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