4,4''-Dibromo-p-terphenyl

CAS
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Purity
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CAS
17788-94-2
Size
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Purity
95%+
Price
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Availability
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Quantity
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Catalog Number

ACM17788942-1

Product Name

4,4''-Dibromo-p-terphenyl

Structure

Structure

CAS

17788-94-2

Category

Main Products

Synonyms

1,4-bis(4-bromophenyl)benzene

IUPAC Name

1,4-bis(4-bromophenyl)benzene

Molecular Weight

388.1

Molecular Formula

C18H12Br2

Canonical SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H12Br2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H

InChI Key

VAIPJQIPFPRJKJ-UHFFFAOYSA-N

Boiling Point

315 °C

Melting Point

315 °C

Appearance

White to gray to brown powder to crystal

Complexity

250

Covalently-Bonded Unit Count

1

Exact Mass

387.92853g/mol

Formal Charge

0

Hazard Statements

H302 : Harmful if swallowed.

H-Bond Acceptor

0

H-Bond Donor

0

Heavy Atom Count

20

Monoisotopic Mass

385.93058g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

Rotatable Bond Count

2

Signal Word

Warning

XLogP3

7.3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4,4''-Dibromo-p-terphenyl?

The molecular formula of 4,4''-Dibromo-p-terphenyl is C15H16N2O.

What is the molecular weight of 4,4''-Dibromo-p-terphenyl?

The molecular weight of 4,4''-Dibromo-p-terphenyl is 240.30 g/mol.

What is the IUPAC name of 4,4''-Dibromo-p-terphenyl?

The IUPAC name of 4,4''-Dibromo-p-terphenyl is 3-amino-N-(2,4-dimethylphenyl)benzamide.

What is the InChI of 4,4''-Dibromo-p-terphenyl?

The InChI of 4,4''-Dibromo-p-terphenyl is InChI=1S/C15H16N2O/c1-10-6-7-14(11(2)8-10)17-15(18)12-4-3-5-13(16)9-12/h3-9H,16H2,1-2H3,(H,17,18).

What is the InChIKey of 4,4''-Dibromo-p-terphenyl?

The InChIKey of 4,4''-Dibromo-p-terphenyl is KUOKLERLHHRXPU-UHFFFAOYSA-N.

What is the Canonical SMILES of 4,4''-Dibromo-p-terphenyl?

The Canonical SMILES of 4,4''-Dibromo-p-terphenyl is CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)N)C.

What is the CAS number of 4,4''-Dibromo-p-terphenyl?

The CAS number of 4,4''-Dibromo-p-terphenyl is 102630-87-5.

What is the XLogP3 value of 4,4''-Dibromo-p-terphenyl?

The XLogP3 value of 4,4''-Dibromo-p-terphenyl is 2.4.

How many hydrogen bond donor counts are there in 4,4''-Dibromo-p-terphenyl?

There are 2 hydrogen bond donor counts in 4,4''-Dibromo-p-terphenyl.

What is the topological polar surface area of 4,4''-Dibromo-p-terphenyl?

The topological polar surface area of 4,4''-Dibromo-p-terphenyl is 55.1Å².

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