2-NITRO-5-THIOCYANATOBENZOIC ACID

CAS No.
30211-77-9
CCD No.
CCD00006842
Formula
C8 H4 N2 O4 S
MolWeight
224.196

Basic Information

Product Name: 2-NITRO-5-THIOCYANATOBENZOIC ACID
CAS: 30211-77-9
English Synonyms: NTCB ; 2-NITRO-5-THIOCYANOBENZOIC ACID ; 2-NITRO-5-THIOCYANATOBENZOIC ACID
MDL Number.: MFCD00007139
H bond acceptor: 6
H bond donor: 1
Smile: c1cc(c(cc1SC#N)C(=O)O)[N+](=O)[O-]
InChi: InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)
InChiKey: InChIKey=NQUNIMFHIWQQGJ-UHFFFAOYSA-N

Property

Melting Point: 159-163 DEG C
Comments: ASSAY METHOD: T
OTHER NOTES: MODIFIES AND CLEAVES PEPTIDES AT CYSTEINE RESIDUES
OTHER NOTES: REAGENT FOR THE SELECTIVE CYANYLATION OF SULFHYDRYL GROUPS
UNSPSC: 12352200
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

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