CS-0331419
1-(5-Bromo-3-nitro-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
Manufacturer: ChemScene
CAS Number: 667901-23-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₁₁BrN₄O₃
Molecular Weight
291.10
Synonyms
1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one
SMILES
CC(C)(C)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])Br
Tpsa
90.92
Logp
1.564
H Acceptors
6
H Donors
0
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 667901-23-7 | 1-(5-Bromo-3-nitro-[1,2,4]triazol-1-yl)-3,3-dimethyl-butan-2-one | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁BrN₄O₃
Molecular Weight: 291.10
Synonyms: 1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one
SMILES: CC(C)(C)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])Br
Tpsa: 90.92
Logp: 1.564
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₁BrN₄O₃
Molecular Weight:
291.10
Synonyms:
1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one
SMILES:
CC(C)(C)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])Br
Tpsa:
90.92
Logp:
1.564
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀ClFO₃
Molecular Weight: 232.64
Synonyms: ethyl 3-chloro-4-fluoro-phenoxyacetate
SMILES: CCOC(=O)COC1=CC(=C(C=C1)F)Cl
Tpsa: 35.53
Logp: 2.421
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀ClFO₃
Molecular Weight:
232.64
Synonyms:
ethyl 3-chloro-4-fluoro-phenoxyacetate
SMILES:
CCOC(=O)COC1=CC(=C(C=C1)F)Cl
Tpsa:
35.53
Logp:
2.421
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 95%
MDL No: MFCD04054635
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁N₃O₂S
Molecular Weight: 285.32
Synonyms: (2E)-2-cyano-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILES: COC1=CC=CC(/C=C(/C(NC2=NC=CS2)=O)\C#N)=C1
Tpsa: 75.01
Logp: 2.69738
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
MFCD04054635
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁N₃O₂S
Molecular Weight:
285.32
Synonyms:
(2E)-2-cyano-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILES:
COC1=CC=CC(/C=C(/C(NC2=NC=CS2)=O)\C#N)=C1
Tpsa:
75.01
Logp:
2.69738
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆O₄
Molecular Weight: 224.25
Synonyms: None
SMILES: CCOC(=O)COC1=C(C=C(C)C=C1)OC
Tpsa: 44.76
Logp: 1.94552
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆O₄
Molecular Weight:
224.25
Synonyms:
None
SMILES:
CCOC(=O)COC1=C(C=C(C)C=C1)OC
Tpsa:
44.76
Logp:
1.94552
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5