2-Benzylphenyl isocyanate

• Catalog Number: ACM146446960
• Product Name: 2-Benzylphenyl isocyanate
• CAS: 146446-96-0
• Category: Main Products
• Synonyms: 2-Benzylphenyl isocyanate, 146446-96-0, ACMC-20ao3i, AC1NLV6W, AC1Q6BNP, 2-Benzylphenyl isocyanate, 2-Isocyanatodiphenylmethane, 1-benzyl-2-isocyanatobenzene, 530824_ALDRICH, CTK4C4968, AKOS009158518, AG-D-90819, Benzene,1-isocyanato-2-(phenylmethyl)-, KB-168624, 2 inverted exclamation marka-Benzylphenyl isocyanate, 2 inverted exclamation marka-Isocyanatodiphenylmethane, 1-Benzyl-2-isocyanato-benzene;2-Benzylphenyl isocyanate
• IUPAC Name: 1-benzyl-2-isocyanatobenzene
• Molecular Weight: 209.24
• Molecular Formula: C₆H₅CH₂C₆H₄NCO
• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2N=C=O
• InChI Key: GLYMYAJKKMZFQT-UHFFFAOYSA-N
• Boiling Point: 309ºC(lit.)
• Flash Point: 230 °F
• Density: 1.11 g/mL at 25ºC(lit.)
• Appearance: yellow liquid
• Exact Mass: 209.08400
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: S26

Custom Q&A

What is the molecular formula of 2-Benzylphenyl isocyanate?

The molecular formula is C14H11NO.

What are the synonyms of 2-Benzylphenyl isocyanate?

The synonyms are 2-Benzylphenyl isocyanate, 146446-96-0, 1-benzyl-2-isocyanatobenzene, 2-benzylphenylisocyanate, Benzene, 1-isocyanato-2-(phenylmethyl)-, 2-benzylphenyl-isocyanate, SCHEMBL510928, 2-Benzylphenyl isocyanate, 97%, DTXSID30407306, MFCD02683468, AKOS009158518, 2-BENZYLPHENYL ISOCYANATE 97, EN300-271005, and J-008223.

What is the IUPAC name of 2-Benzylphenyl isocyanate?

The IUPAC name is 1-benzyl-2-isocyanatobenzene.

What is the InChI of 2-Benzylphenyl isocyanate?

The InChI is InChI=1S/C14H11NO/c16-11-15-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10H2.

What is the InChIKey of 2-Benzylphenyl isocyanate?

The InChIKey is GLYMYAJKKMZFQT-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Benzylphenyl isocyanate?

The canonical SMILES is C1=CC=C(C=C1)CC2=CC=CC=C2N=C=O.

What is the CAS number of 2-Benzylphenyl isocyanate?

The CAS number is 146446-96-0.

What is the molecular weight of 2-Benzylphenyl isocyanate?

The molecular weight is 209.24g/mol.

How many hydrogen bond acceptors are there in 2-Benzylphenyl isocyanate?

There are 2 hydrogen bond acceptors.

Is 2-Benzylphenyl isocyanate a canonicalized compound?

Yes, 2-Benzylphenyl isocyanate is canonicalized.