Tert-butyl 4-chloro-3-nitrobenzoate

Name: Tert-butyl 4-chloro-3-nitrobenzoate
Brand: ChemScene
Availability: OutOfStock
Rating: 5 (1 reviews)

CAS No. 157160-99-1
Cat. No. CS-0233208
Purity≥95%
MDL No.MFCD18452093

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Tert-butyl 4-chloro-3-nitrobenzoate|CS-0233208

Structure of 157160-99-1

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General Information

CAS No. 157160-99-1
Cat. No. CS-0233208
Purity ≥95%
MDL No. MFCD18452093
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂ClNO₄
Molecular Weight 257.67
Synonym(s) t-butyl 4-chloro-3-nitrobenzoate
SMILES O=C(OC(C)(C)C)C1=CC=C(Cl)C([N+]([O-])=O)=C1

Synthesis

Route1
- In-stock
  
  96-99-1
- ~89%
- 157160-99-1
References
- Cancer Research Campaign Technology Limited Patent: US5985909 A1, 1999 ;
Route2
- In-stock
  
  865-47-4
- 38818-50-7
- ~60%
- 157160-99-1
References
- BAYER HEALTHCARE AG Patent: WO2005/28451 A1, 2005 ; Location in patent: Page/Page column 36 ;
Route3
- 38818-50-7
- ~%
- 157160-99-1
References
- G. D. Searle and Co. Patent: US5304644 A1, 1994 ; US 5304644 A

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 69.44
LogP 3.2035
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Tert-butyl 4-chloro-3-nitrobenzoate

CAS No. 157160-99-1

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