3-Bromo-4-iodotoluene

• Catalog Number: ACM71838169
• Product Name: 3-Bromo-4-iodotoluene
• CAS: 71838-16-9
• Category: Bromine Series
• Synonyms: 3-Bromo-4-iodotoluene, 2-Bromo-1-iodo-4-methylbenzene, 71838-16-9, 1-bromo-2-iodo-5-methylbenzene, 2-Bromo-4-methyliodobenzene, PubChem3792, AC1LCEMQ, ACMC-209okc, SureCN2722113, CTK5D5139, MolPort-000-152-143, 2-Bromo-1-iodo-4-methylbenzene,, Benzene,2-bromo-1-iodo-4-methyl-, ANW-36106, ZINC02568094, Benzene, 2-bromo-1-iodo-4-methyl-, AKOS015834647, 2-bromanyl-1-iodanyl-4-methyl-benzene, AG-G-81984, AS03375
• IUPAC Name: 2-bromo-1-iodo-4-methylbenzene
• Molecular Weight: 296.93
• Molecular Formula: C₇H₆BrI
• Canonical SMILES: CC1=CC(=C(C=C1)I)Br
• InChI Key: PLAKKSAFIZVHJP-UHFFFAOYSA-N
• Boiling Point: 133ºC
• Flash Point: 115.1ºC
• Density: 2.08 g/cm³
• Exact Mass: 295.87000
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Safety Description: 26-36/37/39

Custom Q&A

What is the PubChem CID for 3-Bromo-4-iodotoluene?

The PubChem CID for 3-Bromo-4-iodotoluene is 626634.

What is the molecular formula of 3-Bromo-4-iodotoluene?

The molecular formula of 3-Bromo-4-iodotoluene is C7H6BrI.

What is the molecular weight of 3-Bromo-4-iodotoluene?

The molecular weight of 3-Bromo-4-iodotoluene is 296.93 g/mol.

What is the IUPAC name of 3-Bromo-4-iodotoluene?

The IUPAC name of 3-Bromo-4-iodotoluene is 2-bromo-1-iodo-4-methylbenzene.

What is the InChIKey of 3-Bromo-4-iodotoluene?

The InChIKey of 3-Bromo-4-iodotoluene is PLAKKSAFIZVHJP-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-Bromo-4-iodotoluene?

The canonical SMILES representation of 3-Bromo-4-iodotoluene is CC1=CC(=C(C=C1)I)Br.

What is the CAS number of 3-Bromo-4-iodotoluene?

The CAS number of 3-Bromo-4-iodotoluene is 71838-16-9.

What is the XLogP3-AA value of 3-Bromo-4-iodotoluene?

The XLogP3-AA value of 3-Bromo-4-iodotoluene is 3.6.

How many hydrogen bond donor counts does 3-Bromo-4-iodotoluene have?

3-Bromo-4-iodotoluene has 0 hydrogen bond donor counts.

Is 3-Bromo-4-iodotoluene a canonicalized compound?

Yes, 3-Bromo-4-iodotoluene is a canonicalized compound.