2,5-Dibromophenyl Isothiocyanate - CAS 98041-67-9

Catalog:	BB042105
Product Name:	2,5-Dibromophenyl Isothiocyanate
CAS:	98041-67-9
Synonyms:	1,4-dibromo-2-isothiocyanatobenzene; 1,4-dibromo-2-isothiocyanatobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,4-dibromo-2-isothiocyanatobenzene
Description:	2,5-Dibromophenyl Isothiocyanate (CAS# 98041-67-9) is a useful research chemical.
Molecular Weight:	292.98
Molecular Formula:	C7H3Br2NS
Canonical SMILES:	C1=CC(=C(C=C1Br)N=C=S)Br
InChI:	InChI=1S/C7H3Br2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChI Key:	JYMRVQQSUHKIST-UHFFFAOYSA-N
Boiling Point:	172-174 °C
Density:	1.617 g/cm³
MDL:	MFCD00041041
LogP:	3.94590

Publication Number	Title	Priority Date
EP-1446110-A2	Organosulfur inhibitors of tyrosine phosphatases	20011016
US-2005065118-A1	Organosulfur inhibitors of tyrosine phosphatases	20011016
WO-03032916-A2	Organosulfur inhibitors of tyrosine phosphatases	20011016
WO-0025768-A1	Oxadiazole, thiadiazole and triazole derivatives and combinatorial libraries thereof	19981029

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[85-47-2]
1-Naphthalenesulfonic acid
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[874-87-3]
4-(Methylthio)benzyl chloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	292.83325
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	290.8353
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7