2-Nitro-5-thiocyanatobenzoic acid
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2-Nitro-5-thiocyanatobenzoic acid
structure -
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CAS No:
30211-77-9
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Formula:
C8H4N2O4S
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Chemical Name:
2-Nitro-5-thiocyanatobenzoic acid
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Synonyms:
Benzoic acid,2-nitro-5-thiocyanato-;2-Nitro-5-thiocyanatobenzoic acid
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CAS No:
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
Recommended Suppliers of 2-Nitro-5-thiocyanatobenzoic acid
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CN
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2-Nitro-5-thiocyanatobenzoic acid
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