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305103

Sigma-Aldrich

Methyl 2-amino-5-chlorobenzoate

95%

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About This Item

Linear Formula:
H2NC6H3(Cl)CO2CH3
CAS Number:
5202-89-1
Molecular Weight:
185.61
EC Number:
225-992-4
MDL number:
MFCD00007837
UNSPSC Code:
12352100
PubChem Substance ID:
24858406

assay

95%

bp

168-170 °C/22 mmHg (lit.)

mp

66-68 °C (lit.)

functional group

chloro
ester

SMILES string

COC(=O)c1cc(Cl)ccc1N

InChI

1S/C8H8ClNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3

InChI key

IGHVUURTQGBABT-UHFFFAOYSA-N

General description

Methyl 2-amino-5-chlorobenzoate is a useful pharmaceutical intermediate. Crystal structure of methyl 2-amino-5-chlorobenzoate was studied.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
02119MC
U14003
14920AU
12706CA
11524HQ

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Ya-Bin Shi et al.
Acta crystallographica. Section E, Structure reports online, 66(Pt 11), o3025-o3025 (2010-01-01)
The title compound, C(8)H(8)ClNO(2), is almost planar, with an r.m.s. deviation of 0.0410 Å from the plane through the non-hydrogen atoms. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains along the b axis. An intra-molecular N-H⋯O

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