4518-10-9

Name METHYL 3-AMINOBENZOATE
CAS 4518-10-9
EINECS(EC#) 224-842-5
Molecular Formula C8H9NO2
MDL Number MFCD00017102
Molecular Weight 151.16
MOL File 4518-10-9.mol
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Chemical Properties

Appearance light beige to brown cryst. powder or crystals
Melting point  ≥42 °C
Boiling point  170 °C / 20mmHg
density  1,232 g/cm3
refractive index  1.5810 (estimate)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  Deuterated Chloroform
form  Crystalline Powder or Crystals
pka pK1:3.64(＋1) (25°C)
color  Light beige to brown
Water Solubility  Slightly soluble in water (0.1-1%) .
Detection Methods GC,NMR
BRN  1101468
Major Application peptide synthesis
InChI 1S/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChIKey VZDNXXPBYLGWOS-UHFFFAOYSA-N
SMILES COC(=O)c1cccc(N)c1
LogP 1.010 (est)
CAS DataBase Reference 4518-10-9(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 3-amino-, methyl ester (4518-10-9)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xn,Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
Hazard Note  Irritant
TSCA  Yes
HS Code  29224999
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

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