CS-0542079
3-Ethyl-4-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 702642-79-3
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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
C₉H₉NO₄
Molecular Weight
195.17
Synonyms
Benzoic acid, 3-ethyl-4-nitro- (9CI)
SMILES
O=C(C1=CC=C([N+]([O-])=O)C(CC)=C1)O
Tpsa
80.44
Logp
1.8554
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: C₉H₉NO₄
Molecular Weight: 195.17
Synonyms: Benzoic acid, 3-ethyl-4-nitro- (9CI)
SMILES: O=C(C1=CC=C([N+]([O-])=O)C(CC)=C1)O
Tpsa: 80.44
Logp: 1.8554
H Acceptors: 3
H Donors: 1
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:
C₉H₉NO₄
Molecular Weight:
195.17
Synonyms:
Benzoic acid, 3-ethyl-4-nitro- (9CI)
SMILES:
O=C(C1=CC=C([N+]([O-])=O)C(CC)=C1)O
Tpsa:
80.44
Logp:
1.8554
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 96%
MDL No: MFCD22042960
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆FNO₃
Molecular Weight: 171.13
Synonyms: 2-Fluoro-4-nitro-5-methylphenol
SMILES: FC(C=C1[N+]([O-])=O)=C(C=C1C)O
Tpsa: 63.37
Logp: 1.74792
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
96%
MDL No:
MFCD22042960
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆FNO₃
Molecular Weight:
171.13
Synonyms:
2-Fluoro-4-nitro-5-methylphenol
SMILES:
FC(C=C1[N+]([O-])=O)=C(C=C1C)O
Tpsa:
63.37
Logp:
1.74792
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD21773565
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈BrFO
Molecular Weight: 219.05
Synonyms: 1-(3-bromo-5-fluoro-phenyl)-ethanol
SMILES: FC1=CC(C(C)O)=CC(Br)=C1
Tpsa: 20.23
Logp: 2.6415
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD21773565
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈BrFO
Molecular Weight:
219.05
Synonyms:
1-(3-bromo-5-fluoro-phenyl)-ethanol
SMILES:
FC1=CC(C(C)O)=CC(Br)=C1
Tpsa:
20.23
Logp:
2.6415
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃H₁₀ClNO
Molecular Weight: 111.57
Synonyms: Ethanol, 2-(methylamino)-, hydrochloride
SMILES: OCCNC.Cl
Tpsa: 32.26
Logp: -0.3801
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃H₁₀ClNO
Molecular Weight:
111.57
Synonyms:
Ethanol, 2-(methylamino)-, hydrochloride
SMILES:
OCCNC.Cl
Tpsa:
32.26
Logp:
-0.3801
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2