3-(1H-TETRAZOL-5-YL)-9H-THIOXANTHEN-9-ONE 10,10-DIOXIDE MONOHYDRATE

CAS No.
56030-55-8
CCD No.
CCD00081550
Formula
C14 H8 N4 O3 S . H2 O
MolWeight
330.323

Basic Information

Product Name: 3-(1H-TETRAZOL-5-YL)-9H-THIOXANTHEN-9-ONE 10,10-DIOXIDE MONOHYDRATE
CAS: 56030-55-8
English Synonyms: 3-(1H-TETRAZOL-5-YL)-9H-THIOXANTHEN-9-ONE 10,10-DIOXIDE MONOHYDRATE ; DOXANTRAZOLE MONOHYDRATE
MDL Number.: MFCD00167221
H bond acceptor: 7
H bond donor: 1
Smile: c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4.O
InChi: InChI=1S/C14H8N4O3S.H2O/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14;/h1-7H,(H,15,16,17,18);1H2
InChiKey: InChIKey=YRXFSKFCFQRWHG-UHFFFAOYSA-N

Property

Melting Point: 255 DEG C (DEC)(LIT)
Comments: UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

* If the product has intellectual property rights, a license granted is must or contact us.