2-Amino-2-(3-chlorophenyl)acetic acid
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Basic information
- CAS
29884-14-8- Standard SMILES
NC(C(=O)O)c1cccc(Cl)c1- InChIKey
MGOUENCSVMAGSE-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.02435618
Names & identifiers
- Preferred name
- 2-Amino-2-(3-chlorophenyl)acetic acid
- IUPAC
- 2-amino-2-(3-chlorophenyl)acetic acid
- English name
- Amino-(3-chloro-phenyl)-acetic acid
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
7292-71-92-amino-2-(3-chlorophenyl)acetic acidRefChem:463396676-155-9Amino-(3-chloro-phenyl)-acetic acidDL-(3-Chlorophenyl)glycineamino(3-chlorophenyl)acetic acidDL-2-(3-Chlorophenyl)glycineMFCD00049326CHEMBL20465529884-14-8Glycine, 2-(m-chlorophenyl)-,D-
Show more names
RARECHEM AK ML 05073-CHLOROPHENYLGLYCINEClopidogrel Impurity 18AMINO-(3-CHLORO-PHENYL)-ACETICBenzeneacetic acid, α-amino-3-chloro-alpha-Amino-3-chlorophenylacetic acid
amino-(3-chlorophenyl)acetic aciddl-3-chlorophenylglycineF2167-0078Amino(3-?chlorophenyl)?acetic Acid2-(3-Chlorophenyl)glycineD-(-)-alpha-Amino-3-chlorophenylacetic acidNSC154922DL-ALPHA-AMINO-3-CHLOROPHENYLACETIC ACID
Database identifiers
- CAS
29884-14-8、7292-71-9- PubChem CID
- 290730
- DTXSID
DTXSID101381646- ChEMBL
CHEMBL204655- EC Number
- 676-155-9
- Nikkaji
- J1.289.629H
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 268 · 268-269℃ (decomposition)
- Boiling point
- 316.9 · 316.9±32.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Aqueous Acid (Slightly), Methanol (Very Slightly, Heated)
- form
- Solid
- pka
- 1.76 · 1.76±0.10(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 7292 · 7292-71-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAmino(3-chlorophenyl)acetic Acid functions as intermediate useful in the preparation of synthetic penicillins, also used in the structure-activity relationship examination of several drugs containing the benzyl moiety, their roles in biochemical and pharmacological processes.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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