2-Benzylphenyl isocyanate

CAS

146446-96-0

Catalog Number

ACM146446960

Category

Main Products

Molecular Weight

209.24

Molecular Formula

C₆H₅CH₂C₆H₄NCO

MSDS COA Spec Sheet

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Specification

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

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

H-Bond Donor

Safety Description

S26

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.