Methyl 4-amino-3-chloro-5-nitrobenzoate

Name: Methyl 4-amino-3-chloro-5-nitrobenzoate
Brand: ChemScene
Availability: InStock
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CAS No. 863886-04-8
Cat. No. CS-0098708
Molecule weight230.61
Purity≥97%
MDL No.MFCD09842615

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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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Methyl 4-amino-3-chloro-5-nitrobenzoate|CS-0098708

Structure of 863886-04-8

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General Information

CAS No. 863886-04-8
Cat. No. CS-0098708
Purity ≥97%
MDL No. MFCD09842615
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇ClN₂O₄
Molecular Weight 230.61
Synonym(s) methyl 4-amino-5-chloro-3-nitrobenzoate
SMILES O=C(C1=CC([N+]([O-])=O)=C(C(Cl)=C1)N)OC

Synthesis

Route1
- 67-56-1
- 37902-01-5
- ~93%
- In-stock
  
  863886-04-8
References
- PFIZER INC.; BAGLEY, Scott William; GRIFFITH, David Andrew; KUNG, Daniel Wei-Shung Patent: WO2011/58473 A1, 2011 ; Location in patent: Page/Page column 23 ;
Route2
- In-stock
  
  1588-83-6
- ~%
- In-stock
  
  863886-04-8
References
- PFIZER INC Patent: US2011/111046 A1, 2011 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 95.46
LogP 1.617
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-amino-3-chloro-5-nitrobenzoate

CAS No. 863886-04-8

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