Research chemical
(S)-Benzyl (1-chloropropan-2-yl)carbamate
CAS Number: 1245643-24-6
Product details
Identity & specification
- Molecular formula
- C11H14ClNO2
- Molecular weight
- 227.69 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
71301834
Exact Mass
227.071306
InChIKey
FYXUQSKCPRXENP-VIFPVBQESA-N
IUPAC Name
benzyl N-[(2S)-1-chloropropan-2-yl]carbamate
SMILES String
C[C@@H](CCl)NC(=O)OCc1ccccc1
Physical Properties
Appearance
white solid
Physical State
solid
Melting Point
75.0 °C
Boiling Point
280.0 °C
Density
1.16 g/cm³
Water Solubility
1.35 × 10⁻³ mol/L
Flash Point
153.3 °C
Show more physical data
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
400.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
15
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
4
Ring count
1
Aromatic rings
1
Topological polar surface area
38.33 Ų
Computed LogP
2.54
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
(S)-Benzyl (1-chloropropan-2-yl)carbamate is a chiral carbamate derivative used as a functionalized intermediate in organic synthesis. Its specific stereochemistry makes it valuable for preparing complex chiral molecules in research settings.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is suitable for research applications as a chiral building block and functionalized intermediate in organic synthesis.
Documentation needs
Handle (S)-Benzyl (1-chloropropan-2-yl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, chemical-resistant gloves, and a lab coat, to prevent skin and eye contact.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Procurement questions
What are the key identifiers for (S)-Benzyl (1-chloropropan-2-yl)carbamate (CAS 1245643-24-6)?
(S)-Benzyl (1-chloropropan-2-yl)carbamate is identified by CAS 1245643-24-6, with molecular formula C11H14ClNO2, molecular weight 227.69, InChIKey FYXUQSKCPRXENP-VIFPVBQESA-N.
Can I request a COA for CAS 1245643-24-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for (S)-Benzyl (1-chloropropan-2-yl)carbamate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1245643-24-6 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.