2,4-Dinitrophenyl thiocyanate

CAT: 0286-D47780-01Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0286-D47780-01Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1594-56-5

Pictogram

07 - Irritant; 08 - Health Hazard

UDF Signal Word

Warning

MDL Number

MFCD00047702

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H341 Suspected of causing genetic defects.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2,4-Dinitrophenyl thiocyanate

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.

CAS Number	1594-56-5
PubChem CID	15325
IUPAC Name	(2,4-dinitrophenyl) thiocyanate
Molecular Formula	C7H3N3O4S
Molecular Weight	225.18
XLogP	2
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	314

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC#N

InChI

InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H

InChIKey

XQDQRCRASHAZBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1594-56-5

CID: 15325

Formula: C7H3N3O4S

MW: 225.18

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	225.18
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	224.98442676
Monoisotopic Mass	224.98442676
Topological Polar Surface Area	141 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	314
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
E05480	Ethyl bis (2 4-dinitrophenyl) acetate
D47710-01	Epsilon-2,4-Dinitrophenyl-L-lysine hydrochloride
L02300-01	Lead thiocyanate
P23995-01	Potassium thiocyanate
L04550-01	Lithium thiocyanate
B00410-01	Barium thiocyanate
S07400-01	Sodium thiocyanate
S03520-01	Silver Thiocyanate
G05370-01	Guanidine thiocyanate 98%
N07590-01	P-Nitrobenzyl thiocyanate

Alternative Products

Catalog	Name
sc-266104	2,4-Dinitrophenyl thiocyanate
sc-259229A	2- (4-Methylphenyl) -2-oxoethyl thiocyanate
PC8588-01	2- (4-Fluorophenyl) -2-oxoethyl thiocyanate
sc-259218A	2- (4-Methoxyphenyl) -2-oxoethyl thiocyanate
OR14046	2- (4-Chlorophenyl) -2-oxoethyl thiocyanate
OR14035	2- (4-Bromophenyl) -2-oxoethyl thiocyanate
sc-261853	4-Bromophenacyl thiocyanate
sc-280447A	4-Methylbenzyl thiocyanate
OR1021665	4-Bromobenzyl thiocyanate
sc-277095	4-aminophenyl thiocyanate

2,4-Dinitrophenyl thiocyanate

Chemical Information

Related Products

Alternative Products

Popular Products