487376
3-Nitrophenyl isothiocyanate
98%
Manufacturer: Sigma Aldrich
CAS Number: 3529-82-6
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 10 G | 487376-10-G | In Stock | ₹ 21,498.45 |
487376 - 10 G
In Stock
Quantity
1
Base Price: ₹ 21,498.45
GST (18%): ₹ 3,869.721
Total Price: ₹ 25,368.171
Quality Level
100
Assay
98%
mp
57-60 °C (lit.)
storage temp.
2-8°C
SMILES string
[O-][N+](=O)c1cccc(c1)N=C=S
InChI
1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChI key
OEZXLKSZOAWNJU-UHFFFAOYSA-N
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 3529-82-6 | 3-Nitrophenyl isothiocyanate | A2B Chem | ₹ 2,652.36 - ₹ 61,260.96 |
Related Products
Description
- General description: 3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported.[1] Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated.[2] Its synthesis from 3-nitroaniline has been reported.[3]
- Application: 3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one[4] and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one.[3]It may be used in the synthesis of the following thiourea derivatives:[5]N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thioureaN-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thioureaR/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea
SAFETY INFORMATION
Pictograms
Signal Word
Danger
Hazard Statements
Precautionary Statements
P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
Hazard Classifications
Skin Corr. 1B
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Quality Level: 100
Assay: 98%
mp: 57-60 °C (lit.)
storage temp.: 2-8°C
SMILES string: [O-][N+](=O)c1cccc(c1)N=C=S
InChI: 1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChI key: OEZXLKSZOAWNJU-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
mp:
57-60 °C (lit.)
storage temp.:
2-8°C
SMILES string:
[O-][N+](=O)c1cccc(c1)N=C=S
InChI:
1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChI key:
OEZXLKSZOAWNJU-UHFFFAOYSA-N
Quality Level: 100
Assay: 97%
mp: 36-40 °C (lit.)
storage temp.: −20°C
SMILES string: CN(C)c1ccc(cc1)N=C=O
InChI: 1S/C9H10N2O/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
InChI key: YZEHDFBYSOKBED-UHFFFAOYSA-N
Quality Level:
100
Assay:
97%
mp:
36-40 °C (lit.)
storage temp.:
−20°C
SMILES string:
CN(C)c1ccc(cc1)N=C=O
InChI:
1S/C9H10N2O/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
InChI key:
YZEHDFBYSOKBED-UHFFFAOYSA-N
Quality Level: 100
Assay: 98%
mp: __
storage temp.: 2-8°C
SMILES string: COc1ccc(CN=C=O)cc1
InChI: 1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3
InChI key: QRBHVARIMDDOOV-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
mp:
__
storage temp.:
2-8°C
SMILES string:
COc1ccc(CN=C=O)cc1
InChI:
1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3
InChI key:
QRBHVARIMDDOOV-UHFFFAOYSA-N
Quality Level: 200
Assay: __
mp: __
storage temp.: __
SMILES string: __
InChI: 1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
InChI key: ONJQDTZCDSESIW-UHFFFAOYSA-N
Quality Level:
200
Assay:
__
mp:
__
storage temp.:
__
SMILES string:
__
InChI:
1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
InChI key:
ONJQDTZCDSESIW-UHFFFAOYSA-N