2-(2-Chlorophenyl)glycine
Basic information
- CAS
141196-64-7- Standard SMILES
NC(C(=O)O)c1ccccc1Cl- InChIKey
LMIZLNPFTRQPSF-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)glycine
- IUPAC
- 2-amino-2-(2-chlorophenyl)acetic acid
- English name
- DL-2-(2-Chlorophenyl)glycine
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
88744-36-92-amino-2-(2-chlorophenyl)acetic acid2-(2-Chlorophenyl)glycine2-chlorophenyl glycineGlycine, 2-(o-chlorophenyl)-RWJ-333369 metabolite M133MO79FI81UNII-33MO79FI81alpha-Amino-2-chlorophenylacetic acidR342141NSC 154921NSC-154921
Show more names
DL-2-CHLOROPHENYLGLYCINEDL- ortho glycineDL- o - P - P - PRARECHEM AK ML 0504DL-2-(2-ChlorophenylDL-ChlorophenylglycineClopidogrel Impurity 76dl-o-chlorphenylglycineDl-2-Chlorphenylglycine
DTXSID80302892BENZENEACETIC ACID, ALPHA-AMINO-2-CHLORO-.ALPHA.-AMINO-2-CHLOROPHENYLACETIC ACIDBENZENEACETIC ACID, .ALPHA.-AMINO-2-CHLORO-RefChem:197559DTXCID00254026141196-64-7H-DL-Phg(2-Cl)-OH
Database identifiers
- CAS
141196-64-7、88744-36-9- PubChem CID
- 290729
- DTXSID
DTXSID80302892- ChEMBL
CHEMBL4090544- UNII
- 33MO79FI81
- EC Number
- 629-323-0、672-355-5
- Nikkaji
- J1.289.633F
Properties
Computed structural properties
- 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
- InChI
- InChI=1S/C8H8ClNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
- InChIKey
- LMIZLNPFTRQPSF-UHFFFAOYSA-N
- SMILES
- C1(C=CC=CC=1Cl)C(N)C(=O)O
- CAS DataBase Reference
- 141196 · 141196-64-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- F
- 10-23
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesDL-2-(2-Chlorophenyl)glycine can be used as an intermediate of antithrombotic drug flupidogrel.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…