ChemicalBook CAS DataBase List 551-16-6

551-16-6

Name	6-Aminopenicillanic acid
CAS	551-16-6
EINECS(EC#)	208-993-4
Molecular Formula	C8H12N2O3S
MDL Number	MFCD00005176
Molecular Weight	216.26
MOL File	551-16-6.mol

Synonyms

(25,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO-[3.2.0]HEPTANE-2-CARBOXYLIC ACID 6-AMINO-2,2-DIMETHYL-5-OXOPERHYDROAZETO[2,1-B][1,3]THIAZOLE-3-CARBOXYLIC ACID 6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (+)-6-AMINOPENICILLANIC ACID 6-AMINOPENICILLANIC ACID 6-AMINO PENICILLINIC ACID 6-APA 7-AMINO-3,3-DIMETHYL-6-OXO-2-THIA-5-AZABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-amino-3,3-dimethyl-7-oxo 5alpha,6beta)]-[2s-(2alpha 6-amino-3,3-dimethyl-7-oxo-,[2S-(2.alpha.,5.alpha.,6.beta.)]-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid 6-aps aminopenicillanicacid penicin penin phenacyl6-aminopenicillinate 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, [2S-(2alpha,5alpha,6beta)]- 6-Aminopenicillanic acid 6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-APA 6-amino penicillanic acid(6-APA)

Chemical Properties

Appearance	WHITE TO CREAM FINE POWDER
Melting point	198-200 °C (dec.)(lit.)
alpha	276.3 º (c=1.2, 0.1N HCl 22 ºC)
Boiling point	460.2±45.0 °C(Predicted)
density	1.3418 (rough estimate)
refractive index	1.6300 (estimate)
storage temp.	2-8°C
solubility	2.46g/l
form	Fine Powder
pka	pKa 2.3 (Uncertain)
color	White to cream
PH	3.4 (100g/l, H2O)
Optical Rotation	[α]22/D +276.3°, c = 1.2 in 0.1 M HCl
Water Solubility	Soluble in water and hydrochoric acid.
Merck	14,458
BRN	15080
Stability:	Light sensitive
InChI	1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
InChIKey	NGHVIOIJCVXTGV-SDKNWNMFSA-N
SMILES	CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O
LogP	-3.87 at 22.5℃
CAS DataBase Reference	551-16-6(CAS DataBase Reference)
EPA Substance Registry System	551-16-6(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H319
Precautionary statements	P264-P280-P305+P351+P338-P337+P313
Hazard Codes	Xn
Risk Statements	R42/43:May cause sensitization by inhalation and skin contact . less more
Safety Statements	S22:Do not breathe dust . S36/37:Wear suitable protective clothing and gloves . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S37:Wear suitable gloves . S24:Avoid contact with skin . S36:Wear suitable protective clothing . less more
WGK Germany	2
RTECS	XH8225000
F	10
TSCA	Yes
REACH Registrations	Active
HS Code	29349990
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2

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