(R)-(-)-2-Phenylglycine chloride hydrochloride
Basic information
- CAS
39878-87-0- Standard SMILES
Cl.N[C@@H](C(=O)Cl)c1ccccc1- InChIKey
GVVFCAFBYHYGEE-OGFXRTJISA-N- Molecular formula
- C8H9Cl2NO
- Average molar mass
- 206.07 g/mol
- Monoisotopic mass
- 205.0061193
Names & identifiers
- Preferred name
- (R)-(-)-2-Phenylglycine chloride hydrochloride
- IUPAC
- (2R)-2-amino-2-phenylacetyl chloride;hydrochloride
- English name
- (R)-(-)-2-Phenylglycine chloride hydrochloride
- Molecular formula
- C8H9Cl2NO
- Molecular weight
- 206.07
Names & synonyms
39878-87-0(R)-(-)-2-Phenylglycine chloride hydrochloride(R)-2-Amino-2-phenylacetyl chloride hydrochlorideMFCD00039094Phenylglycine acid chloride hydrochloride07V2DD878H(2R)-2-amino-2-phenylacetyl chloride;hydrochlorideBenzeneacetyl chloride, .alpha.-amino-, hydrochloride, (.alpha.R)-D-(-)-2-amino-2-phenylacetyl chloride hydrochloride[(1R)-2-Chloro-2-oxo-1-phenylethyl]azanium;chloride2-Amino-2-phenylacetyl chloride hydrochloride, D-(-)-EINECS 254-668-5
Show more names
D(-)-PHENYL GLYCINE HCLL-Phenylglycyl chloride HClD(-)-PHENYLGLYCINECHLORIDEHCLD-2-PHENYLGLYCINE CHLORIDE HCLD-alpha-PhenylglycinechlorideHClR-Phenylglycinechloridehydrochlorided-phenylglycinechloridehydrochloride(2R)-2-amino-2-phenylacetyl chlorideL-Phenylglycyl chloride hydrochloride
(-)-alpha-(Chloroformyl)benzylammonium chloride(2R)-2-amino-2-phenylacetyl chloride hydrochloride(R)-(-)-2-Phenylglycine Chloride HClUNII-07V2DD878HBenzeneacetyl chloride, alpha-amino-, hydrochloride, (alphaR)-D-(-)-Phenylglycine acid chloride, hydrochloride(R)-alpha-Aminobenzeneacetyl chloride, hydrochlorideSCHEMBL6718139
Database identifiers
- CAS
39878-87-0- PubChem CID
- 170253
- DTXSID
DTXSID40892163- UNII
- 07V2DD878H
- EC Number
- 254-668-5
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Pharmaceuticals
Physical DescriptionSolid; Readily hydrolyzes in water to D-phenylglycine; [IUCLID] Light brown powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 117 °C · 117 °C (dec.)(lit.)
- RTECS
- 1920000 · CY1920000
- Flash point
- 302 °F · 302 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Dimethylsulfoxide, Water
- form
- Powder
- color
- Pale brown
- Sensitive
- Moisture Sensitive
- CAS DataBase Reference
- 39878 · 39878-87-0(CAS DataBase Reference)
- FDA UNII
- 7 V2DD878H · 07V2DD878H
- EPA Substance Registry System
- Benzeneacetyl chloride, .alpha.-amino-, hydrochloride, (.alpha.R)- (39878-87-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
Corrosive to skin (rabbit); EC classification: not irritating; Risk of serious damage to eyes; Skin and respiratory sensitization reported in humans; [IUCLID] Occupational asthma confirmed in 29% of pharmaceutical workers; [Malo] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Ampicillin.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 10-19-21-34
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- risk_code
- 22-34-42
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
UsesAn intermediate in the production of ampicillin; [Reference #1]
General Manufacturing InformationBenzeneacetyl chloride, .alpha.-amino-, hydrochloride (1:1), (.alpha.R)-: INACTIVE
Applications
UsesR)-(-)-2-Phenylglycine Chloride Hydrochloride in an intermediate in the synthesis of Pivampicillin Hydrochloride which is a semi-synthetic antibiotic related to Penicillin (P223500). Antibacterial.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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