91-40-7

Name N-Phenylanthranilic acid
CAS 91-40-7
EINECS(EC#) 202-066-8
Molecular Formula C13H11NO2
MDL Number MFCD00002421
Molecular Weight 213.23
MOL File 91-40-7.mol
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Chemical Properties

Appearance LIGHT GREY-GREEN TO YELLOW-GREEN FINE POWDER
Melting point  182-185 °C (lit.)
Boiling point  353.22°C (rough estimate)
bulk density 200kg/m3
density  1.1544 (rough estimate)
refractive index  1.5700 (estimate)
storage temp.  Store below +30°C.
solubility  DMSO: 125 mg/mL (586.22 mM)
form  Fine Powder
pka pKa 5.28(5–10%aq. acetone t=25±0.1 I=0.11) (Uncertain)
color  Light gray-green
Water Solubility  insoluble
Detection Methods T
Merck  14,7273
BRN  1456607
Major Application peptide synthesis
InChI 1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
InChIKey ZWJINEZUASEZBH-UHFFFAOYSA-N
SMILES OC(=O)c1ccccc1Nc2ccccc2
CAS DataBase Reference 91-40-7(CAS DataBase Reference)
EPA Substance Registry System 91-40-7(EPA Substance)
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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  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  CB3730000
TSCA  Yes
HazardClass  IRRITANT
HS Code  29224995
Storage Class 11 - Combustible Solids
Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Toxicity
LD50 ipr-mus: 235 mg/kg RPTOAN 37,105,74

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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