4-Bromobenzyl mercaptan

• CAS: 19552-10-4
• Catalog Number: ACM19552104
• Category: Bromine Series
• Molecular Weight: 203.0995
• Molecular Formula: C₇H₇BrS
• Synonyms: 4-Bromobenzyl mercaptan, 4-Bromo-alpha-toluenethiol, (4-Bromophenyl)methanethiol, 566950_ALDRICH, NSC114661, ZINC04244655, BBV-088795, TL8006774, 19552-10-4
• IUPAC Name: (4-bromophenyl)methanethiol
• Canonical SMILES: C1=CC(=CC=C1CS)Br
• InChI Key: CUCKXDPCCYHFMQ-UHFFFAOYSA-N
• Boiling Point: 264.7ºC at 760 mmHg
• Melting Point: 27-31ºC(lit.)
• Flash Point: 113.9ºC
• Density: 1.493 g/cm³
• Appearance: colorless to light yellow liquid
• Exact Mass: 201.94500
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Packing Group: III
• Safety Description: S22-S24/25
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Bromobenzyl mercaptan?

The molecular formula of 4-Bromobenzyl mercaptan is C7H7BrS.

What is the molecular weight of 4-Bromobenzyl mercaptan?

The molecular weight of 4-Bromobenzyl mercaptan is 203.10 g/mol.

What is the IUPAC Name of 4-Bromobenzyl mercaptan?

The IUPAC Name of 4-Bromobenzyl mercaptan is (4-bromophenyl)methanethiol.

What is the InChI of 4-Bromobenzyl mercaptan?

The InChI of 4-Bromobenzyl mercaptan is InChI=1S/C7H7BrS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2.

What is the InChIKey of 4-Bromobenzyl mercaptan?

The InChIKey of 4-Bromobenzyl mercaptan is CUCKXDPCCYHFMQ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromobenzyl mercaptan?

The canonical SMILES of 4-Bromobenzyl mercaptan is C1=CC(=CC=C1CS)Br.

What is the CAS number of 4-Bromobenzyl mercaptan?

The CAS number of 4-Bromobenzyl mercaptan is 19552-10-4.

What is the European Community (EC) number of 4-Bromobenzyl mercaptan?

The European Community (EC) number of 4-Bromobenzyl mercaptan is 674-546-9.

What is the DSSTox Substance ID of 4-Bromobenzyl mercaptan?

The DSSTox Substance ID of 4-Bromobenzyl mercaptan is DTXSID90297189.

What is the Nikkaji Number of 4-Bromobenzyl mercaptan?

The Nikkaji Number of 4-Bromobenzyl mercaptan is J979.030F.