CS-0604111
2-(Cyano(1H-1,2,4-triazol-1-yl)methyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 400086-49-9
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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
C₁₁H₇N₅
Molecular Weight
209.21
Synonyms
None
SMILES
C1=CC=C(C(=C1)C#N)C(C#N)N2C=NC=N2
Tpsa
78.29
Logp
1.26276
H Acceptors
5
H Donors
0
Rotatable Bonds
2
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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: C₁₁H₇N₅
Molecular Weight: 209.21
Synonyms: None
SMILES: C1=CC=C(C(=C1)C#N)C(C#N)N2C=NC=N2
Tpsa: 78.29
Logp: 1.26276
H Acceptors: 5
H Donors: 0
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:
C₁₁H₇N₅
Molecular Weight:
209.21
Synonyms:
None
SMILES:
C1=CC=C(C(=C1)C#N)C(C#N)N2C=NC=N2
Tpsa:
78.29
Logp:
1.26276
H Acceptors:
5
H Donors:
0
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: C₁₄H₁₂Cl₂N₂O₃
Molecular Weight: 327.16
Synonyms: None
SMILES: CONC(=O)C1=CN(C(=O)C=C1)CC2=C(C=CC=C2Cl)Cl
Tpsa: 60.33
Logp: 2.4946
H Acceptors: 4
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:
C₁₄H₁₂Cl₂N₂O₃
Molecular Weight:
327.16
Synonyms:
None
SMILES:
CONC(=O)C1=CN(C(=O)C=C1)CC2=C(C=CC=C2Cl)Cl
Tpsa:
60.33
Logp:
2.4946
H Acceptors:
4
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: C₁₆H₁₄Cl₂N₂O₂
Molecular Weight: 337.20
Synonyms: None
SMILES: C1CC1NC(=O)C2=CN(C(=O)C=C2)CC3=C(C=CC=C3Cl)Cl
Tpsa: 51.1
Logp: 3.0956
H Acceptors: 3
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:
C₁₆H₁₄Cl₂N₂O₂
Molecular Weight:
337.20
Synonyms:
None
SMILES:
C1CC1NC(=O)C2=CN(C(=O)C=C2)CC3=C(C=CC=C3Cl)Cl
Tpsa:
51.1
Logp:
3.0956
H Acceptors:
3
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: C₁₃H₁₂ClN₃O
Molecular Weight: 261.71
Synonyms: None
SMILES: CC1=CC=CC=C1C(=O)NNC2=NC(=CC=C2)Cl
Tpsa: 54.02
Logp: 2.80032
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₂ClN₃O
Molecular Weight:
261.71
Synonyms:
None
SMILES:
CC1=CC=CC=C1C(=O)NNC2=NC(=CC=C2)Cl
Tpsa:
54.02
Logp:
2.80032
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3