CS-0611505
4-Chloro-3-ethynylbenzonitrile
Manufacturer: ChemScene
CAS Number: 914106-00-6
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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
C₉H₄ClN
Molecular Weight
161.59
Synonyms
None
SMILES
ClC1=CC=C(C#N)C=C1C#C
Tpsa
23.79
Logp
2.19298
H Acceptors
1
H Donors
0
Rotatable Bonds
0
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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
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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: C₉H₄ClN
Molecular Weight: 161.59
Synonyms: None
SMILES: ClC1=CC=C(C#N)C=C1C#C
Tpsa: 23.79
Logp: 2.19298
H Acceptors: 1
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:
C₉H₄ClN
Molecular Weight:
161.59
Synonyms:
None
SMILES:
ClC1=CC=C(C#N)C=C1C#C
Tpsa:
23.79
Logp:
2.19298
H Acceptors:
1
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: C₉H₉N
Molecular Weight: 131.17
Synonyms: None
SMILES: CNC1=CC=CC=C1C#C
Tpsa: 12.03
Logp: 1.7096
H Acceptors: 1
H Donors: 1
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:
C₉H₉N
Molecular Weight:
131.17
Synonyms:
None
SMILES:
CNC1=CC=CC=C1C#C
Tpsa:
12.03
Logp:
1.7096
H Acceptors:
1
H Donors:
1
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: C₇H₇N₃
Molecular Weight: 133.15
Synonyms: 2,6-pyridinediamine,3-ethynyl
SMILES: NC1=NC(N)=CC=C1C#C
Tpsa: 64.93
Logp: 0.2273
H Acceptors: 3
H Donors: 2
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:
C₇H₇N₃
Molecular Weight:
133.15
Synonyms:
2,6-pyridinediamine,3-ethynyl
SMILES:
NC1=NC(N)=CC=C1C#C
Tpsa:
64.93
Logp:
0.2273
H Acceptors:
3
H Donors:
2
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: C₁₁H₁₁NO₂
Molecular Weight: 189.21
Synonyms: Benzoic acid, 4-amino-3-ethynyl-, ethyl ester
SMILES: O=C(OCC)C1=CC=C(N)C(C#C)=C1
Tpsa: 52.32
Logp: 1.4268
H Acceptors: 3
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:
C₁₁H₁₁NO₂
Molecular Weight:
189.21
Synonyms:
Benzoic acid, 4-amino-3-ethynyl-, ethyl ester
SMILES:
O=C(OCC)C1=CC=C(N)C(C#C)=C1
Tpsa:
52.32
Logp:
1.4268
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2