CS-0377590
Isobutyl 3-iodobenzoate
Manufacturer: ChemScene
CAS Number: 159139-48-7
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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
C₁₁H₁₃IO₂
Molecular Weight
304.12
Synonyms
Benzoic acid, 3-iodo-, 2-methylpropyl ester
SMILES
O=C(OCC(C)C)C1=CC=CC(I)=C1
Tpsa
26.3
Logp
3.104
H Acceptors
2
H Donors
0
Rotatable Bonds
3
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: C₁₁H₁₃IO₂
Molecular Weight: 304.12
Synonyms: Benzoic acid, 3-iodo-, 2-methylpropyl ester
SMILES: O=C(OCC(C)C)C1=CC=CC(I)=C1
Tpsa: 26.3
Logp: 3.104
H Acceptors: 2
H Donors: 0
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:
C₁₁H₁₃IO₂
Molecular Weight:
304.12
Synonyms:
Benzoic acid, 3-iodo-, 2-methylpropyl ester
SMILES:
O=C(OCC(C)C)C1=CC=CC(I)=C1
Tpsa:
26.3
Logp:
3.104
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃IN₂O₂
Molecular Weight: 344.15
Synonyms: None
SMILES: OC1=CC2=C(N(C3CCCCO3)N=C2I)C=C1
Tpsa: 47.28
Logp: 3.0456
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃IN₂O₂
Molecular Weight:
344.15
Synonyms:
None
SMILES:
OC1=CC2=C(N(C3CCCCO3)N=C2I)C=C1
Tpsa:
47.28
Logp:
3.0456
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇NO₄
Molecular Weight: 239.27
Synonyms: None
SMILES: O=C(N1CC(C#CC(O)=O)CC1)OC(C)(C)C
Tpsa: 66.84
Logp: 1.3314
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇NO₄
Molecular Weight:
239.27
Synonyms:
None
SMILES:
O=C(N1CC(C#CC(O)=O)CC1)OC(C)(C)C
Tpsa:
66.84
Logp:
1.3314
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉BrN₂
Molecular Weight: 201.06
Synonyms: 4-Bromo-5-methyl-1-cyclopropyl-1H-pyrazole
SMILES: CC1=C(Br)C=NN1C2CC2
Tpsa: 17.82
Logp: 2.28892
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉BrN₂
Molecular Weight:
201.06
Synonyms:
4-Bromo-5-methyl-1-cyclopropyl-1H-pyrazole
SMILES:
CC1=C(Br)C=NN1C2CC2
Tpsa:
17.82
Logp:
2.28892
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1