415774
5′-Chloro-2′-hydroxy-3′-nitroacetophenone
99%
Manufacturer: Sigma Aldrich
CAS Number: 84942-40-5
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 25 G | 415774-25-G | In Stock | ₹ 4,503.20 |
415774 - 25 G
In Stock
Quantity
1
Base Price: ₹ 4,503.20
GST (18%): ₹ 810.576
Total Price: ₹ 5,313.776
Quality Level
100
Assay
99%
mp
132-135 °C (lit.)
SMILES string
CC(=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
InChI
1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChI key
IUNBIQBAYUBIFD-UHFFFAOYSA-N
Related Products
Description
- General description: 5′-Chloro-2′-hydroxy-3′-nitroacetophenone (5-chloro-3-nitro-2-hydroxyacetophenone) is a nitro derivative of ortho-hydroxy aryl ketone. Its crystal structure has been studied by X-ray diffraction. It forms complex with 2-aminobenzoic acid (anthranilic acid), in which the nitro group is turned by approximately 40°C.[1]
- Application: 5′-Chloro-2′-hydroxy-3′-nitroacetophenone may be used for the synthesis of 6-chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde.[2]
SAFETY INFORMATION
Pictograms
Signal Word
Warning
Hazard Statements
Precautionary Statements
P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
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: 99%
mp: 132-135 °C (lit.)
SMILES string: CC(=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
InChI: 1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChI key: IUNBIQBAYUBIFD-UHFFFAOYSA-N
Quality Level:
100
Assay:
99%
mp:
132-135 °C (lit.)
SMILES string:
CC(=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
InChI:
1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChI key:
IUNBIQBAYUBIFD-UHFFFAOYSA-N
Quality Level: 100
Assay: 98%
mp: 97-99 °C (lit.)
SMILES string: CCOC(=O)\C(C#N)=C(/c1ccccc1)c2ccccc2
InChI: 1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
InChI key: IAJNXBNRYMEYAZ-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
mp:
97-99 °C (lit.)
SMILES string:
CCOC(=O)\C(C#N)=C(/c1ccccc1)c2ccccc2
InChI:
1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
InChI key:
IAJNXBNRYMEYAZ-UHFFFAOYSA-N
Quality Level: 200
Assay: 97%
mp: −10 °C (lit.)
SMILES string: CCCCC(CC)COC(=O)\C(C#N)=C(/c1ccccc1)c2ccccc2
InChI: 1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
InChI key: FMJSMJQBSVNSBF-UHFFFAOYSA-N
Quality Level:
200
Assay:
97%
mp:
−10 °C (lit.)
SMILES string:
CCCCC(CC)COC(=O)\C(C#N)=C(/c1ccccc1)c2ccccc2
InChI:
1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
InChI key:
FMJSMJQBSVNSBF-UHFFFAOYSA-N
Quality Level: 200
Assay: 97%
mp: 88-92 °C (lit.)
SMILES string: Cc1cc(C)c(c(C)c1)C(=O)P(=O)(c2ccccc2)c3ccccc3
InChI: 1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChI key: VFHVQBAGLAREND-UHFFFAOYSA-N
Quality Level:
200
Assay:
97%
mp:
88-92 °C (lit.)
SMILES string:
Cc1cc(C)c(c(C)c1)C(=O)P(=O)(c2ccccc2)c3ccccc3
InChI:
1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChI key:
VFHVQBAGLAREND-UHFFFAOYSA-N