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| CAS No.: | 39878-87-0 |
|---|---|
| Name: | (R)-(-)-2-Phenylglycine chloride hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C8H8ClNO.HCl |
| Molecular Weight: | 206.072 |
| Synonyms: | (R)-(-)-2-Phenylglycine chloride hydrochloride;Benzeneacetyl chloride, a-amino-, hydrochloride, (aR)- (9CI);(-)-Phenylglycyl chloride hydrochloride;L-Phenylglycine chloride hydrochloride;D-(-)-2-Amino-2-phenylacetylchloride hydrochloride;D-(-)-2-Phenylglycyl chloride hydrochloride;D-(-)-Phenylglycine chloride hydrochloride;D-(-)-Phenylglycyl chloridehydrochloride;D-(-)-α-Aminophenylacetic acid chloride hydrochloride;D-(-)-α-Aminophenylacetyl chloridehydrochloride;D-(-)-α-Phenylglycyl chloride hydrochloride;D-2-Phenylglycyl chloridehydrochloride;D-Phenylglycine chloride hydrochloride;D-Phenylglycyl chloridehydrochloride; |
| EINECS: | 254-668-5 |
| Melting Point: | 117 ºC |
| Boiling Point: | 247.2 ºC at 760 mmHg |
| Flash Point: | 302 °F |
| Appearance: | white to off white crystalline powder |
| Hazard Symbols: |
 C
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| Risk Codes: | 22-34-42 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | 25kgs |
| PSA: | 43.09000 |
| LogP: | 2.95410 |
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Specification
The Benzeneacetylchloride, a-amino-, hydrochloride, (R)-, with the CAS registry number 39878-87-0, is also known as D-alpha-Phenylglycine chloride hydrochloride. It belongs to pharmaceutical intermediates. Its EINECS number is 254-668-5. This chemical's molecular formula is C8H8ClNO.HCl and molecular weight is 206.07. What's more, its IUPAC name is called (2R)-2-amino-2-phenylacetyl chloride hydrochloride. It is corrosive.
Physical properties of Benzeneacetylchloride, a-amino-, hydrochloride, (R)- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 2.61; (6)ACD/BCF (pH 7.4): 10.53; (7)ACD/KOC (pH 5.5): 46.05; (8)ACD/KOC (pH 7.4): 185.6; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31Å2; (13)Flash Point: 103.3 °C; (14)Enthalpy of Vaporization: 48.44 kJ/mol; (15)Boiling Point: 247.2 °C at 760 mmHg; (16)Vapour Pressure: 0.026 mmHg at 25°C.
Preparation: this chemical can be prepared by D-(-)-phenylglycine. This reaction will need reagent lithium aluminium tetrahydride, magnesium hydroxide and solvent tetrahydrofuran. The reaction time is 4 hours by heating. The yield is about 91%.
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Uses of Benzeneacetylchloride, a-amino-, hydrochloride, (R)-: it is used to synthesize a semi-synthetic penicillin and cephalosporin, it can be also used to synthesize intermediates such as ampicillin.
When you are using this chemical, please be cautious about it as the following:
It has corrosivity and is harmful if swallowed. It can cause burns and it may cause sensitization by inhalation. Once contact with eyes, rinse immediately with plenty of water and seek medical advice. When you are using it, wear appropriate protective clothing and use appropriate protective gloves. When in poor ventilation establishments, you should wear suitable breathing apparatus.
You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC=C(C=C1)C(C(=O)Cl)N.Cl
(2)InChI: InChI=1S/C8H8ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-5,7H,10H2;1H/t7-;/m1./s1
(3)InChIKey: GVVFCAFBYHYGEE-OGFXRTJISA-N