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dichloro-1,2,4,5-tetrazine

dichloro-1,2,4,5-tetrazine - CAS 106131-61-7

Catalog:	BB001823
Product Name:	dichloro-1,2,4,5-tetrazine
CAS:	106131-61-7
Synonyms:	3,6-dichloro-1,2,4,5-tetrazine; 3,6-dichloro-1,2,4,5-tetrazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,6-dichloro-1,2,4,5-tetrazine
Description:	3,6-Dichloro-1,2,4,5-tetrazine was reported in stapling of complex peptides as a photochemical trigger. Professor Amos Smith and coworkers have displayed this application in several recent reports.
Molecular Weight:	150.95
Molecular Formula:	C2Cl2N4
Canonical SMILES:	C1(=NN=C(N=N1)Cl)Cl
InChI:	InChI=1S/C2Cl2N4/c3-1-5-7-2(4)8-6-1
InChI Key:	HXXFMIAFWKZHDY-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD22042702
LogP:	0.57340

Publication Number	Title	Priority Date
CN-112142958-A	Tetrazine aromatic skeleton polymer, functional derivative and synthetic method thereof	20200927
CN-111995802-A	Raw material composition, rubber material, and preparation method and application thereof	20200907
CN-111995802-B	Raw material composition, rubber material, and preparation method and application thereof	20200907
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
CN-111154077-A	Tetrazine cyclo poly diphenyl indole, preparation method and application thereof	20200116

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	60.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.9500014
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.9500014
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5