CAS
71701-92-3 Purity
98%
71701-92-3 Purity
98%
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3-Bromo-4-iodotoluene
CAS
71838-16-9
Catalog Number
ACM71838169
Category
Bromine Series
Molecular Weight
296.93
Molecular Formula
C7H6BrI
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Specification
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
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
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.
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