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Home > Encyclopedia > 2-Nitro-5-thiocyanatobenzoic acid

2-Nitro-5-thiocyanatobenzoic acid

2-Nitro-5-thiocyanatobenzoic acid structure

2-Nitro-5-thiocyanatobenzoic acid 

structure
  • CAS No:

    30211-77-9

  • Formula:

    C8H4N2O4S

  • Chemical Name:

    2-Nitro-5-thiocyanatobenzoic acid

  • Synonyms:

    Benzoic acid,2-nitro-5-thiocyanato-;2-Nitro-5-thiocyanatobenzoic acid

Description

yellow fine crystalline powder

2-Nitro-5-thiocyanatobenzoic acid Basic Attributes

224.19

224.19

250-093-9

O5VCA1GS5O

DTXSID6067543

2930909090

Characteristics

132

2.38938

yellow powder

1.63g/cm3

156-157 °C(lit.)

449ºC at 760mmHg

225.4℃

1.5690 (estimate)

2-8°C

Safety Information

NONH for all modes of transport

3

36/37/38

26-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)|Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

2-nitro-5-thiocyanobenzoic acid

2-Nitro-5-thiocyanatobenzoic acid Use and Manufacturing

Benzoic acid, 2-nitro-5-thiocyanato-: INACTIVE

Computed Properties

Molecular Weight:224.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:223.98917779
Monoisotopic Mass:223.98917779
Topological Polar Surface Area:132
Heavy Atom Count:15
Complexity:318
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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