CS-0198298
tert-Butyl (3-chloro-4-fluorophenyl)(methyl)carbamate
Manufacturer: ChemScene
CAS Number: 2171295-96-6
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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
C₁₂H₁₅ClFNO₂
Molecular Weight
259.70
Synonyms
None
SMILES
O=C(N(C)C1=CC=C(C(Cl)=C1)F)OC(C)(C)C
Tpsa
29.54
Logp
3.8504
H Acceptors
2
H Donors
0
Rotatable Bonds
1
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: C₁₂H₁₅ClFNO₂
Molecular Weight: 259.70
Synonyms: None
SMILES: O=C(N(C)C1=CC=C(C(Cl)=C1)F)OC(C)(C)C
Tpsa: 29.54
Logp: 3.8504
H Acceptors: 2
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:
C₁₂H₁₅ClFNO₂
Molecular Weight:
259.70
Synonyms:
None
SMILES:
O=C(N(C)C1=CC=C(C(Cl)=C1)F)OC(C)(C)C
Tpsa:
29.54
Logp:
3.8504
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈N₂
Molecular Weight: 132.16
Synonyms: 3-AMino-5-Methyl-benzonitrile
SMILES: N#CC1=CC(C)=CC(N)=C1
Tpsa: 49.81
Logp: 1.4489
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈N₂
Molecular Weight:
132.16
Synonyms:
3-AMino-5-Methyl-benzonitrile
SMILES:
N#CC1=CC(C)=CC(N)=C1
Tpsa:
49.81
Logp:
1.4489
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 46% in water
MDL No: MFCD01862262
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉NNa₄O₈
Molecular Weight: 351.13
Synonyms: None
SMILES: O=C(O[Na])[C@H](CCC(O[Na])=O)N(CC(O[Na])=O)CC(O[Na])=O
Tpsa: 108.44
Logp: -3.056
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 9
Purity:
46% in water
MDL No:
MFCD01862262
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉NNa₄O₈
Molecular Weight:
351.13
Synonyms:
None
SMILES:
O=C(O[Na])[C@H](CCC(O[Na])=O)N(CC(O[Na])=O)CC(O[Na])=O
Tpsa:
108.44
Logp:
-3.056
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
9
Purity: 93%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄N₂O₂S
Molecular Weight: 250.32
Synonyms: None
SMILES: O=C(OC)CCCC#CC1=CN=C(SC)N=C1
Tpsa: 52.08
Logp: 1.8933
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
93%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄N₂O₂S
Molecular Weight:
250.32
Synonyms:
None
SMILES:
O=C(OC)CCCC#CC1=CN=C(SC)N=C1
Tpsa:
52.08
Logp:
1.8933
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4