CS-1058336
4-Amino-5-methyl-2-(trifluoromethyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 875056-26-1
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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
C₉H₇F₃N₂
Molecular Weight
200.16
Synonyms
None
SMILES
N#CC=1C=C(C(N)=CC1C(F)(F)F)C
Tpsa
49.81
Logp
2.4677
H Acceptors
2
H Donors
1
Rotatable Bonds
0
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: C₉H₇F₃N₂
Molecular Weight: 200.16
Synonyms: None
SMILES: N#CC=1C=C(C(N)=CC1C(F)(F)F)C
Tpsa: 49.81
Logp: 2.4677
H Acceptors: 2
H Donors: 1
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:
C₉H₇F₃N₂
Molecular Weight:
200.16
Synonyms:
None
SMILES:
N#CC=1C=C(C(N)=CC1C(F)(F)F)C
Tpsa:
49.81
Logp:
2.4677
H Acceptors:
2
H Donors:
1
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: C₁₂H₁₁NO₂
Molecular Weight: 201.22
Synonyms: None
SMILES: O=C(OC=1C=CC=2N=C(C=CC2C1)C)C
Tpsa: 39.19
Logp: 2.46852
H Acceptors: 3
H Donors: 0
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:
C₁₂H₁₁NO₂
Molecular Weight:
201.22
Synonyms:
None
SMILES:
O=C(OC=1C=CC=2N=C(C=CC2C1)C)C
Tpsa:
39.19
Logp:
2.46852
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₆N₂O₄
Molecular Weight: 286.37
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1CN(C(=O)OC(C)(C)C)CC1
Tpsa: 67.87
Logp: 2.5205
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₆N₂O₄
Molecular Weight:
286.37
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1CN(C(=O)OC(C)(C)C)CC1
Tpsa:
67.87
Logp:
2.5205
H Acceptors:
4
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: C₁₁H₁₁Br
Molecular Weight: 223.11
Synonyms: None
SMILES: BrC1=CC=C2C(=C1)CCC23CC3
Tpsa: 0
Logp: 3.4269
H Acceptors: 0
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:
C₁₁H₁₁Br
Molecular Weight:
223.11
Synonyms:
None
SMILES:
BrC1=CC=C2C(=C1)CCC23CC3
Tpsa:
0
Logp:
3.4269
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0