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About This Item
Linear Formula:
H2NC6H3(Cl)CO2CH3
CAS Number:
Molecular Weight:
185.61
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Assay
95%
bp
168-170 °C/22 mmHg (lit.)
mp
66-68 °C (lit.)
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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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