2,4,6-Tribromophenyl isocyanate - CAS 826-97-1

Catalog:	BB036884
Product Name:	2,4,6-Tribromophenyl isocyanate
CAS:	826-97-1
Synonyms:	1,3,5-tribromo-2-isocyanatobenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1,3,5-tribromo-2-isocyanatobenzene
Description:	2,4,6-Tribromophenyl isocyanate (CAS# 826-97-1 ) is a useful research chemical.
Molecular Weight:	355.81
Molecular Formula:	C7H2Br3NO
Canonical SMILES:	C1=C(C=C(C(=C1Br)N=C=O)Br)Br
InChI:	InChI=1S/C7H2Br3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI Key:	NGVBAZXOCBEMDK-UHFFFAOYSA-N
Boiling Point:	345.2 ℃ at 760 mmHg
Density:	2.27 g/cm³
MDL:	MFCD00013842
LogP:	3.94140

Publication Number	Title	Priority Date
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
CN-108753220-B	High-temperature-resistant and solvent-resistant phenolic resin film	20180626
TW-202003448-A	Adducts of amine catalysts for producing isocyanurate polymers	20180413
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413
CN-112020525-A	Adducts of amine catalysts for making isocyanurate polymers	20180413

PMID	Publication Date	Title	Journal
18262518	20080330	The influence of 2,4,6-tribromophenyl isocyanate on the cellular and nuclear uptake of the SV 40 T antigen nuclear localization sequence	European journal of pharmacology

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H302 (100%): 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

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	354.76660
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	352.76865
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8