4702-13-0

Name N-Phthaloylglycine
CAS 4702-13-0
EINECS(EC#) 225-177-3
Molecular Formula C8H7NO4
MDL Number MFCD00005900
Molecular Weight 181.15
MOL File 4702-13-0.mol
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Chemical Properties

Appearance white powder
Melting point  193-196 °C(lit.)
Boiling point  343.83°C (rough estimate)
density  1.3849 (rough estimate)
refractive index  1.5600 (estimate)
storage temp.  0-6°C
solubility  DMSO, Methanol
form  Solid
pka 3.61±0.10(Predicted)
color  White
Water Solubility  insoluble
BRN  184174
InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
InChIKey WQINSVOOIJDOLJ-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=CC=C2)C(=O)N1CC(O)=O
LogP 0.67
CAS DataBase Reference 4702-13-0(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P271-P280
Hazard Codes  Xn,Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
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
RTECS  NR3439000
Hazard Note  Irritant
REACH Registrations Active
HazardClass  IRRITANT
HS Code  29251900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

Hazard Information

Material Safety Data Sheet(MSDS)

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