methyl 3-amino-4-chlorobenzoate

Modify Date: 2026-07-07 09:58:42

methyl 3-amino-4-chlorobenzoate Structure
methyl 3-amino-4-chlorobenzoate structure
Common Name methyl 3-amino-4-chlorobenzoate
CAS Number 40872-87-5 Molecular Weight 185.60800
Density 1.311g/cm3 Boiling Point 292.1ºC at 760mmHg
Molecular Formula C8H8ClNO2 Melting Point 83 °C
MSDS N/A Flash Point 130.4ºC

 Names

Name Methyl 3-Amino-4-Chlorobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.311g/cm3
Boiling Point 292.1ºC at 760mmHg
Melting Point 83 °C
Molecular Formula C8H8ClNO2
Molecular Weight 185.60800
Flash Point 130.4ºC
Exact Mass 185.02400
PSA 52.32000
LogP 2.29000
Index of Refraction 1.58
InChIKey LOCJPOYKBUUVKU-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(Cl)c(N)c1

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2922499990

 Synthetic Route

~93%

methyl 3-amino-4-chlorobenzoate Structure

methyl 3-amino-...

CAS#:40872-87-5

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Literature: Merck and Co., Inc. Patent: US5411980 A1, 1995 ; US 5411980 A

~90%

methyl 3-amino-4-chlorobenzoate Structure

methyl 3-amino-...

CAS#:40872-87-5

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Literature: Heffron, Timothy P.; Wei, Binqing; Olivero, Alan; Staben, Steven T.; Tsui, Vickie; Do, Steven; Dotson, Jennafer; Folkes, Adrian J.; Goldsmith, Paul; Goldsmith, Richard; Gunzner, Janet; Lesnick, John; Lewis, Cristina; Mathieu, Simon; Nonomiya, Jim; Shuttleworth, Stephen; Sutherlin, Daniel P.; Wan, Nan Chi; Wang, Shumei; Wiesmann, Christian; Zhu, Bing-Yan Journal of Medicinal Chemistry, 2011 , vol. 54, # 22 p. 7815 - 7833

~92%

methyl 3-amino-4-chlorobenzoate Structure

methyl 3-amino-...

CAS#:40872-87-5

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Literature: Haydon, David J.; Bennett, James M.; Brown, David; Collins, Ian; Galbraith, Greta; Lancett, Paul; MacDonald, Rebecca; Stokes, Neil R.; Chauhan, Pramod K.; Sutariya, Jignesh K.; Nayal, Narendra; Srivastava, Anil; Beanland, Joy; Hall, Robin; Henstock, Vincent; Noula, Caterina; Rockley, Chris; Czaplewski, Lloyd Journal of Medicinal Chemistry, 2010 , vol. 53, # 10 p. 3927 - 3936

~81%

methyl 3-amino-4-chlorobenzoate Structure

methyl 3-amino-...

CAS#:40872-87-5

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Literature: Alper, Phil B.; Nguyen, KhanhLinh T. Journal of Organic Chemistry, 2003 , vol. 68, # 5 p. 2051 - 2053

~99%

methyl 3-amino-4-chlorobenzoate Structure

methyl 3-amino-...

CAS#:40872-87-5

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Literature: Chen, Li; Feng, Lichun; Huang, Mengwei; Liu, Yongfu; Wu, Guolong; Wu, Jim Zhen; Zhou, Mingwei Patent: US2011/257151 A1, 2011 ; Location in patent: Page/Page column 74 ;

 Customs

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 methyl 3-amino-4-chlorobenzoateBioassay

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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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 Synonyms

Methyl 3-amino-4-chlorobenzoate
3-Amino-4-chlorobenzoic Acid Methyl Ester
MFCD03470533
3-amino-4-chlorobenzoic acid methylester
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