Basic information
- CAS
14091-11-3- Standard SMILES
NC(Cc1ccccc1Cl)C(=O)O- InChIKey
CVZZNRXMDCOHBG-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- 2-chloro-3-phenyl-DL-alanine
- IUPAC
- 2-amino-3-(2-chlorophenyl)propanoic acid
- English name
- 2-Amino-3-(2-chloro-phenyl)-propionic acid
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
o-Chloro-dl-phenylalanineO-ChlorophenylalanineDL-Phenylalanine, 2-chloro-2-Chloro-3-phenyl-DL-alanineEINECS 237-939-2NSC 233876RefChem:468739DL-Phenylalanine, 2-chloro-(9CI)237-939-214091-11-32-amino-3-(2-chlorophenyl)propanoic acid2-Chloro-DL-Phenylalanine
Show more names
DL-Phe(2-Cl)-OHH-DL-Phe(2-Cl)-OHTryptophan Impurity 108DL-O-CHLOROPHENYLALANINE2-Chloro-Dl-Phenylalanine,>99%2-amino-3-(2-chlorophenyl)propanoicaci
2-chlorophenylalaninePhenylalanine, 2-chloro-MFCD000377742-Amino-3-(2-chloro-phenyl)-propionic acidL-2-Chloro phenylalanine2-Amino-3-(2-chlorophenyl)propanoicacidNSC-28185NSC-154946
Database identifiers
- CAS
14091-11-3、1991-77-1- PubChem CID
- 85679
- DTXSID
DTXSID901367410- UNII
- 7PG3RE35VN
- EC Number
- 237-939-2
- Nikkaji
- J2.230.810F
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 216 · 216-219 °C
- Boiling point
- 339.5 · 339.5±32.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- Aqueous Acid (Slightly)
- form
- Solid
- pka
- 1 · pK1: 2.23(+1);pK2: 8.94(0) (25°C)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2922498590 · 2922498590
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
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-DL-phenylalanine is used in the synthesis of 2-benzylpyrroles and 2-benzoylpyrroles with insecticidal and acaricidal activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers88 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…