4-Bromobenzyl mercaptan - CAS 19552-10-4
Catalog: |
BB015133 |
Product Name: |
4-Bromobenzyl mercaptan |
CAS: |
19552-10-4 |
Synonyms: |
(4-bromophenyl)methanethiol |
IUPAC Name: | (4-bromophenyl)methanethiol |
Description: | 4-Bromobenzyl mercaptan (CAS# 19552-10-4 ) is a useful research chemical. |
Molecular Weight: | 203.10 |
Molecular Formula: | C7H7BrS |
Canonical SMILES: | C1=CC(=CC=C1CS)Br |
InChI: | InChI=1S/C7H7BrS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
InChI Key: | CUCKXDPCCYHFMQ-UHFFFAOYSA-N |
Boiling Point: | 264.7 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.493 g/cm3 |
MDL: | MFCD03701566 |
LogP: | 2.87890 |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112289937-A | Quantum dot light-emitting diode and preparation method thereof | 20190725 |
WO-2020253756-A1 | Fluorescent red-emissive compounds for cellular organelle imaging | 20190618 |
CN-111763164-A | Preparation method and application of ortho-carbonyl amino substituted benzene derivatives | 20190402 |
WO-2020199945-A1 | Ortho-carbonyl amino-substituted benzene derivative, and preparation method therefor and use thereof | 20190402 |
WO-2020099886-A1 | Lox inhibitors | 20181116 |
PMID | Publication Date | Title | Journal |
18298092 | 20080301 | In vitro metabolism of a model cyclopropylamine to reactive intermediate: insights into trovafloxacin-induced hepatotoxicity | Chemical research in toxicology |
Complexity: | 77 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.94518 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.94518 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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