3-Bromo-4-methoxytoluene

• CAS: 22002-45-5
• Catalog Number: ACM22002455
• Category: Bromine Series
• Molecular Weight: 201.06
• Molecular Formula: C₈H₈O₃
• Synonyms: 2-Bromo-4-methylanisole, 3-Bromo-4-methoxytoluene, Anisole, 2-bromo-4-methyl-, 480835_ALDRICH, ARONIS002710, 2-Bromo-1-methoxy-4-methylbenzene, Benzene, 2-bromo-1-methoxy-4-methyl-, EINECS 244-705-3, ZINC00403240, ST5319749, 22002-45-5
• IUPAC Name: 2-bromo-1-methoxy-4-methylbenzene
• Canonical SMILES: CC1=CC(=C(C=C1)OC)Br
• InChI Key: DHPUIKWBNXTXOB-UHFFFAOYSA-N
• Boiling Point: 124-125ºC20 mm Hg(lit.)
• Melting Point: 15.5ºC(lit.)
• Flash Point: 102.9ºC
• Density: 1.378g/cm³
• Appearance: Clear colourless to light yellow liquid
• EC Number: 244-705-3
• Exact Mass: 199.98400
• Hazard Statements: H319
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: UN 3265 8 / PGII
• Safety Description: 26-36
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of 3-Bromo-4-methoxytoluene?

The PubChem CID of 3-Bromo-4-methoxytoluene is 89143.

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

The molecular formula of 3-Bromo-4-methoxytoluene is C8H9BrO.

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

The molecular weight of 3-Bromo-4-methoxytoluene is 201.06 g/mol.

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

The IUPAC name of 3-Bromo-4-methoxytoluene is 2-bromo-1-methoxy-4-methylbenzene.

What is the InChI of 3-Bromo-4-methoxytoluene?

The InChI of 3-Bromo-4-methoxytoluene is InChI=1S/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3.

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

The InChIKey of 3-Bromo-4-methoxytoluene is DHPUIKWBNXTXOB-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4-methoxytoluene?

The canonical SMILES of 3-Bromo-4-methoxytoluene is CC1=CC(=C(C=C1)OC)Br.

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

The CAS number of 3-Bromo-4-methoxytoluene is 22002-45-5.

What is the XLogP3 value of 3-Bromo-4-methoxytoluene?

The XLogP3 value of 3-Bromo-4-methoxytoluene is 3.1.

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

Yes, 3-Bromo-4-methoxytoluene is a canonicalized compound according to PubChem.