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2,4-Dinitrophenyl thiocyanate

2,4-Dinitrophenyl thiocyanate structure

CAS No:
1594-56-5
Formula:
C7H3N3O4S
Chemical Name:
2,4-Dinitrophenyl thiocyanate
Synonyms:
Thiocyanic acid,2,4-dinitrophenyl ester;Benzene,2,4-dinitro-1-thiocyanato-;2317W;2,4-Dinitrophenyl thiocyanate;2,4-Dinitro-1-thiocyanobenzene;DNRB;Nirit;Rodatox 60;Grzybol;2,4-Dinitrothiocyanatobenzene;Nirit Supra;RDNB;Rhodandinitrobenzol;NBT (pesticide);NBT;DNTB;NSC 540;[(2,4-Dinitrophenyl)sulfanyl]formonitrile

Description

2,4-dinitro-1-thiocyanatobenzene is a thiocyanate compound having a 2,4-dinitrophenyl group attached to the sulfur atom. It has a role as a hapten and a tolerogen. It is a member of thiocyanates and a C-nitro compound.

2,4-Dinitrophenyl thiocyanate Basic Attributes

Molecular Weight：

225.18100

Exact Mass：

225.18

EC Number：

216-477-5

UNII：

I0559FK639

NSC Number：

540

DSSTox ID：

DTXSID4041367

HScode：

2930909090

Characteristics

PSA：

140.73000

XLogP3：

3.12258

Density：

1.62g/cm3

Melting Point：

138-139 °C

Boiling Point：

368.4ºC at 760 mmHg

Refractive Index：

1.666

Safety Information

Packing level：

III

hazard class code：

R32;R36/37/38

safety instructions：

S26-S36/37/39

RTECS Number：

XK9450000

Precautionary statement(s)：

P201, P202, P210, P240, P241, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, P501

Hazard Statements：

H228

GHS Classification：

|Warning|H228 (20%): Flammable solid [Danger Flammable solids]|P201, P202, P210, P240, P241, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,4-dinitrophenylthiocyanate

Computed Properties

Molecular Weight:225.18
XLogP3:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:224.98442676
Monoisotopic Mass:224.98442676
Topological Polar Surface Area:141
Heavy Atom Count:15
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

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(4-amino-3-ethylphenyl) thiocyanate Formula

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1,1-Dichloro-2-(4-methylphenyl)-2-oxoethyl thiocyanate Structure

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Guide of 2,4-Dinitrophenyl thiocyanate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

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