CS-0888073
5-Bromo-1-methyl-1H-1,2,4-triazole-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 2092044-29-4
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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
C₄H₃BrN₄
Molecular Weight
187.00
Synonyms
None
SMILES
N#CC1=NN(C)C(Br)=N1
Tpsa
54.5
Logp
0.44928
H Acceptors
4
H Donors
0
Rotatable Bonds
0
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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: C₄H₃BrN₄
Molecular Weight: 187.00
Synonyms: None
SMILES: N#CC1=NN(C)C(Br)=N1
Tpsa: 54.5
Logp: 0.44928
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₃BrN₄
Molecular Weight:
187.00
Synonyms:
None
SMILES:
N#CC1=NN(C)C(Br)=N1
Tpsa:
54.5
Logp:
0.44928
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁F₂NO₅
Molecular Weight: 309.31
Synonyms: None
SMILES: O=C(N1C[C@@H](C(OCC)=O)[C@@H](O)C(F)(F)C1)OC(C)(C)C
Tpsa: 76.07
Logp: 1.4126
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁F₂NO₅
Molecular Weight:
309.31
Synonyms:
None
SMILES:
O=C(N1C[C@@H](C(OCC)=O)[C@@H](O)C(F)(F)C1)OC(C)(C)C
Tpsa:
76.07
Logp:
1.4126
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆N₄O₂
Molecular Weight: 166.14
Synonyms: None
SMILES: O=C(C1=C(C#N)N(C)N=C1N)O
Tpsa: 104.93
Logp: -0.42782
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆N₄O₂
Molecular Weight:
166.14
Synonyms:
None
SMILES:
O=C(C1=C(C#N)N(C)N=C1N)O
Tpsa:
104.93
Logp:
-0.42782
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O₂
Molecular Weight: 176.17
Synonyms: None
SMILES: O=C(O)C1=CC=C(C#N)C=C1NC
Tpsa: 73.12
Logp: 1.29818
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O₂
Molecular Weight:
176.17
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C#N)C=C1NC
Tpsa:
73.12
Logp:
1.29818
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2