42399-49-5

Name (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
CAS 42399-49-5
EINECS(EC#) 255-799-0
Molecular Formula C16H15NO3S
MDL Number MFCD01321316
Molecular Weight 301.36
MOL File 42399-49-5.mol
show more

Chemical Properties

Appearance white to slightly beige powder
Melting point  203-206 °C(lit.)
alpha  112 º (c=0.5 in MeOH)
Boiling point  545.4±50.0 °C(Predicted)
density  1.2458 (rough estimate)
refractive index  114 ° (C=0.5, MeOH)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated)
form  Solid
pka 12.37±0.40(Predicted)
color  Off-White
InChI InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1
InChIKey LHBHZALHFIQJGJ-CABCVRRESA-N
SMILES S1C2=CC=CC=C2NC(=O)[C@H](O)[C@@H]1C1=CC=C(OC)C=C1
CAS DataBase Reference 42399-49-5(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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 .
WGK Germany  3
REACH Registrations Active
HS Code  29349990

Hazard Information

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Related Products

Send Inquriy