2058-74-4

Name N-METHYLISATIN
CAS 2058-74-4
EINECS(EC#) 218-164-9
Molecular Formula C9H7NO2
MDL Number MFCD00005812
Molecular Weight 161.16
MOL File 2058-74-4.mol
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Chemical Properties

Appearance ORANGE TO BROWNISH CRYSTALLINE POWDER
Melting point  130-133 °C (lit.)
Boiling point  287.44°C (rough estimate)
density  1.314
refractive index  1.5050 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
form  Crystalline Powder
pka -2.41±0.20(Predicted)
color  Orange to brownish
Water Solubility  Insoluble in water.
λmax 427nm(CH2Cl2)(lit.)
BRN  128280
InChI InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
InChIKey VCYBVWFTGAZHGH-UHFFFAOYSA-N
SMILES N1(C)C2=C(C=CC=C2)C(=O)C1=O
CAS DataBase Reference 2058-74-4(CAS DataBase Reference)

Safety Data

Hazard Codes  T
Risk Statements 
R25:Toxic if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  NL7939000
HazardClass  IRRITANT
HS Code  29337900
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Toxicity
mouse,LD50,intraperitoneal,685mg/kg (685mg/kg),LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION,Pharmaceutical Chemistry Journal Vol. 15, Pg. 858, 1981.

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