# Boc-Phe(2,4-Cl (CAS 114873-04-0)

**CAS:** 114873-04-0  
**PubChem CID:** [2734683](https://pubchem.ncbi.nlm.nih.gov/compound/2734683)  
**Molecular formula:** C14H17Cl2NO4  
**Molar mass:** 334.2 g/mol  
**IUPAC:** (2S)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid  
**SMILES:** `CC(C)(C)OC(=O)N[C@@H](CC1=C(C=C(C=C1)Cl)Cl)C(=O)O`  
**InChIKey:** `KSDWBXFRQWMWHO-NSHDSACASA-N`  
**InChI:** `InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| logP (XLogP3) | 3.8 |
| PSA | 75.6 Ų |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 21 |

## 3D structure

The molecule contains 38 atoms connected by 38 chemical bonds. Interactive 3D model available at: https://molgod.org/molekula/114873-04-0/

## Synonyms

- 114873-04-0
- (S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid
- Boc-L-2,4-Dichlorophenylalanine
- Boc-2,4-dichloro-L-phenylalanine
- Boc-Phe(2,4-Cl2)-OH
- MFCD01862942
- L-Phenylalanine, 2,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-
- (2S)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- (S)-Boc-2,4-Dichlorophenylalanine
- Boc-L-2,4-Dichlorophe

## Available in the shop

[Boc-Phe(2,4-Cl (CAS 114873-04-0) — Beijing Tong Guang](https://molgod.org/sds-cards/boc-phe24-cl-cas-114873-04-0-beijing-tong-guang/)

## Regulatory compliance checklist

Status based on: ADR 2025 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis).

2 required / 12 items

### SDS (Safety Data Sheet) available

- **required** (required / sds)
- How to comply: Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format.
- [Source / form](https://echa.europa.eu/information-on-chemicals)

### Compliant CLP label (pictograms + signal word + H/P)

- **to be verified** (unknown / clp_label)
- [Source / form](https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272)

### Chemical OSH training (substance-specific)

- **to be verified** (unknown / bhp_training)
- How to comply: Laboratory staff: initial training (general induction + job-specific) + refresher training every 5 years (or every 3 for engineering/technical positions). Documentation kept in personnel files.
- [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20040180169)

### BDO registration (Polish Waste Database)

- **to be verified** (unknown / bdo_registration)
- How to comply: No confirmed hazard classification — the BDO status cannot be determined. Verify the CLP classification and the BDO obligation before disposal; do not assume there is no obligation.
- [Source / form](https://bdo.mos.gov.pl/)

### ADR transport (international agreement)

- **to be verified** (unknown / adr_transport)
- How to comply: No ADR data in the MOL-GOD dataset for this CAS number. Do NOT assume there are no restrictions — before shipping, verify the transport classification in ADR 2025 (Table A) and in section 14 of the safety data sheet (SDS).
- [Source / form](https://unece.org/transport/dangerous-goods/adr-2025-files)

### REACH registration (>1 t/year EU import)

- **conditional** (conditional / reach_registration)
- How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list.
- [Source / form](https://echa.europa.eu/regulations/reach/registration)

### SVHC notification (Substances of Very High Concern)

- **to be verified** (unknown / svhc_declaration)
- How to comply: SVHC status not verified against the available dataset — check the current ECHA candidate list; do not assume the absence of an entry.
- [Source / form](https://echa.europa.eu/candidate-list-table)

### REACH Annex XIV (authorisation list)

- **to be verified** (unknown / reach_annex_xiv)
- How to comply: Not verified against the ECHA Authorisation List — check REACH Annex XIV.
- [Source / form](https://echa.europa.eu/authorisation-list)

### REACH Annex XVII (use/marketing restrictions)

- **to be verified** (unknown / reach_annex_xvii)
- [Source / form](https://echa.europa.eu/substances-restricted-under-reach)

### OEL — Occupational Exposure Limit in the working environment

- **to be verified** (unknown / nds_workplace)
- How to comply: No NDS data in the MOL-GOD dataset (incomplete set — ~41 of ~600 substances in the list). Absence does NOT mean there is no NDS — check the full list in Dz.U. 2024 poz. 1017 (Regulation of the Ministry of Family and Social Policy of 4 September 2024), and where none exists apply the OEL from EU directives or values recommended by NIOSH/ACGIH.
- [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20240001017)

### GIS register (precursors / psychotropics)

- **to be verified** (unknown / gis_register)
- How to comply: Does not appear in the available working set of precursors (list incomplete). Absence is NOT a confirmation — verify against Annex I of Reg. (EC) 273/2004 and the GIS list before placing on the market.
- [Source / form](https://www.gov.pl/web/gis)

### Safety Data Sheet in Polish

- **required** (required / sds_pl)
- How to comply: Requirement: SDS in Polish for trade in PL (Art. 31 REACH + Chemical Substances Act Art. 17).
- [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20012112135)


## Data sources

- [PubChem CID 2734683](https://pubchem.ncbi.nlm.nih.gov/compound/2734683)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=114873-04-0)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=114873-04-0)

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*Last updated: 2026-09-02 · Generator: MOL-GOD v3.12.33*