ChemicalBook > CAS DataBase List > Methyl 3-amino-4-chlorobenzoate

Methyl 3-amino-4-chlorobenzoate

Product Name
Methyl 3-amino-4-chlorobenzoate
CAS No.
40872-87-5
Chemical Name
Methyl 3-amino-4-chlorobenzoate
Synonyms
Intedanib Impurity 5;Methyl 3-Amino-4-chlorobenzene;METHYL 3-AMINO-4-CHLOROBENZOATE;METHYL, 4-CHLORO-3-AMINOBENZOATE;Methyl3-Amino-4-chlorobenzoate>3-amino-4-chloro-2-methylbenzoate;Amino chlorobenzoic acid methyl ester;3-AMINO-4-CHLOROBENZOIC ACID METHYL ESTER;Methyl 3-AMino-4-chlorobenzoate, 98.0%(GC&T;Benzoic acid, 3-aMino-4-chloro-, Methyl ester
CBNumber
CB3211933
Molecular Formula
C8H8ClNO2
Formula Weight
185.61
MOL File
40872-87-5.mol
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Methyl 3-amino-4-chlorobenzoate Property

Melting point:
83 °C
Boiling point:
292.1±20.0 °C(Predicted)
Density 
1.311±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
form 
crystalline powder
pka
1.51±0.10(Predicted)
color 
Pale lemon/gold
InChI
InChI=1S/C8H8ClNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
InChIKey
LOCJPOYKBUUVKU-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC=C(Cl)C(N)=C1
CAS DataBase Reference
40872-87-5(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TCI Chemical
Product number
M1778
Product name
Methyl 3-Amino-4-chlorobenzoate
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$54
Updated
2025/07/31
TCI Chemical
Product number
M1778
Product name
Methyl 3-Amino-4-chlorobenzoate
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$180
Updated
2025/07/31
TRC
Product number
M328668
Product name
Methyl 3-Amino-4-chlorobenzoate
Packaging
500mg
Price
$65
Updated
2021/12/16
Apolloscientific
Product number
OR2041
Product name
Methyl 3-Amino-4-chlorobenzoate
Packaging
25g
Price
$58
Updated
2021/12/16
SynQuest Laboratories
Product number
4658-5-X6
Product name
Methyl 3-amino-4-chlorobenzoate
Packaging
25g
Price
$64
Updated
2021/12/16
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Methyl 3-amino-4-chlorobenzoate Chemical Properties,Usage,Production

Synthesis

To a solution of 3-amino-4-chlorobenzoic acid (15.0 g, 88.0 mmol) in methanol (90.0 mL), thionyl chloride (13.0 mL) was added drop-wise at 0 °C. The resulting mixture was refluxed for 12h. After completion of the reaction, the reaction mixture was concentrated under reduced pressure. The residue was diluted with water (150 mL) and extracted with ethyl acetate. The organic layer was washed with sodium bicarbonate (50 mL) and brine solution (50 mL) and dried over sodium sulfate. The organic layer was removed under a rotary evaporator to yield Methyl 3-amino-4-chlorobenzoate (15.0 g, 92.5 per cent) as an off-white solid. 1H NMR (400 MHz, CDC13) δ 3.88 (s, 3H), 4.26 (brs, 2H), 7.29 (d, J = 8.2 Hz, 1H), 7.34-7.37 (dd, J = 1.9, 8.2 Hz, 1H), 7.45 (d, J = 1.9 Hz, 1H).

References

[1] Patent: WO2011/128251, 2011, A1. Location in patent: Page/Page column 201
[2] Patent: US2011/257151, 2011, A1. Location in patent: Page/Page column 74
[3] Patent: WO2014/149164, 2014, A1. Location in patent: Paragraph 00708
[4] Journal of Medicinal Chemistry, 2009, vol. 52, # 8, p. 2465 - 2481
[5] Journal of Organic Chemistry, 2003, vol. 68, # 5, p. 2051 - 2053

Methyl 3-amino-4-chlorobenzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Methyl 3-amino-4-chlorobenzoate manufacturers

Qingdao RENAS Polymer Material Co., Ltd.
Product
methyl 3-amino-4-chlorobenzoate 40872-87-5
Price
US $0.00/kg
Min. Order
20kg
Purity
99%
Supply Ability
20 tons
Release date
2025-05-08
Career Henan Chemical Co
Product
methyl 3-amino-4-chlorobenzoate 40872-87-5
Price
US $7.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
100kg
Release date
2018-12-25

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  • 40872-87-5
  • FINE Chemical & INTERMEDIATES
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