2-Nitro-5-thiocyanatobenzoic Acid

Modify Date: 2024-01-11 11:01:48

2-Nitro-5-thiocyanatobenzoic Acid Structure
2-Nitro-5-thiocyanatobenzoic Acid structure
Common Name 2-Nitro-5-thiocyanatobenzoic Acid
CAS Number 30211-77-9 Molecular Weight 224.19300
Density 1.63g/cm3 Boiling Point 449ºC at 760mmHg
Molecular Formula C8H4N2O4S Melting Point 156-157ºC(lit.)
MSDS Chinese USA Flash Point 225.4ºC
Symbol GHS07
GHS07
Signal Word Warning

 Use of 2-Nitro-5-thiocyanatobenzoic Acid


2-Nitro-5-thiocyanatobenzoic acid (NTCB) is a highly reactive reagent that transfers its cyano group rapidly to a nucleophilic thiolate. 2-Nitro-5-thiocyanatobenzoic acid has been proposed as a reagent for converting thiol groups in proteins into their S-cyano derivatives[1][2].

 Names

Name 2-nitro-5-thiocyanatobenzoic acid
Synonym More Synonyms

 2-Nitro-5-thiocyanatobenzoic Acid Biological Activity

Description 2-Nitro-5-thiocyanatobenzoic acid (NTCB) is a highly reactive reagent that transfers its cyano group rapidly to a nucleophilic thiolate. 2-Nitro-5-thiocyanatobenzoic acid has been proposed as a reagent for converting thiol groups in proteins into their S-cyano derivatives[1][2].
Related Catalog
In Vitro 2-Nitro-5-thiocyanatobenzoic acid(NTCB is a highly reactive reagent that transfers its cyano group rapidly to a nucleophilic thiolate. When it is provided to a protein, it will quickly cyanylate the protein cysteine to form S-cyano-cysteine which undergoes reversible intramolecular addition with the cysteine N-amide to generate 1-acyl-2-iminothiazolidine, an intermediate that can undergo nucleophilic acyl substitution[1].
References

[1]. Qiao Y, et al. Site-Specific Conversion of Cysteine in a Protein to Dehydroalanine Using 2-Nitro-5-thiocyanatobenzoic Acid. Molecules. 2021;26(9):2619. Published 2021 Apr 29.

[2]. Price NC. Alternative products in the reaction of 2-nitro-5-thiocyanatobenzoic acid with thiol groups. Biochem J. 1976;159(1):177-180.

 Chemical & Physical Properties

Density 1.63g/cm3
Boiling Point 449ºC at 760mmHg
Melting Point 156-157ºC(lit.)
Molecular Formula C8H4N2O4S
Molecular Weight 224.19300
Flash Point 225.4ºC
Exact Mass 223.98900
PSA 132.21000
LogP 2.38938
Appearance of Characters powder | yellow
Index of Refraction 1.5690 (estimate)
Storage condition 2-8°C

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases 26-36
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2930909090

 Precursor & DownStream

Precursor  2

DownStream  1

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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 Synonyms

NTCB
MFCD00007139
2-Nitro-5-thiocyanatobenzoesaeure
EINECS 250-093-9
2-Nitro-5-thiocyanobenzoic acid,NTCB
2-Nitro-5-thiocyanobenzoic acid
2-Nitro-5-thiocyano-benzoesaeure
Benzoic acid,2-nitro-5-thiocyanato