S-(4,5-DIMETHOXY-2-NITROBENZYL)ISOTHIOURONIUM BROMIDE

CAS No.
155614-05-4
CCD No.
CCD00098681
Formula
C10 H13 N3 O4 S . Br H
MolWeight
352.208

Basic Information

Product Name: S-(4,5-DIMETHOXY-2-NITROBENZYL)ISOTHIOURONIUM BROMIDE
CAS: 155614-05-4
English Synonyms: 2-(4,5-DIMETHOXY-2-NITROBENZYL)-2-THIOPSEUDOUREA HYDROBROMIDE ; S-(4,5-DIMETHOXY-2-NITROBENZYL)ISOTHIOURONIUM BROMIDE
MDL Number.: MFCD00214268
H bond acceptor: 7
H bond donor: 2
Smile: COc1cc(c(cc1OC)[N+](=O)[O-])CSC(=N)N.Br
InChi: InChI=1S/C10H13N3O4S.BrH/c1-16-8-3-6(5-18-10(11)12)7(13(14)15)4-9(8)17-2;/h3-4H,5H2,1-2H3,(H3,11,12);1H
InChiKey: InChIKey=LOQPMIGKYIVTQT-UHFFFAOYSA-N

Property

Melting Point: 230-231 DEG C (DEC)(LIT)
Comments: UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07 GHS08 GHS08
Signal word: Danger
Hazard statements: H302-H312-H332-H350
Precautionary statements: P201-P280-P308 + P313
hazard symbol: T
Risk Code: R:45-46-20/21/22
Safe Code: S:53-22-36/37/39-45
WGK Germany: 3

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