2-Phenylthiazolidine
Basic information
- CAS
4569-82-8- Standard SMILES
c1ccc(C2NCCS2)cc1- InChIKey
NXOMVTLTYYYYPC-UHFFFAOYSA-N- Molecular formula
- C9H11NS
- Average molar mass
- 165.26 g/mol
- Monoisotopic mass
- 165.06122053
Names & identifiers
- Preferred name
- 2-Phenylthiazolidine
- IUPAC
- 2-phenyl-1,3-thiazolidine
- English name
- 2-Phenyl-1,3-thiazolane
- Molecular formula
- C9H11NS
- Molecular weight
- 165.26
Names & synonyms
2-Phenylthiazolidine4569-82-8THIAZOLIDINE, 2-PHENYL-LP6UVF85URNSC-357913RefChem:891122-Phenyl-1,3-thiazolane2-Phenyl-1,3-thiazolidinePhenyl-2 thiazolidineMFCD001282382-Phenyl-thiazolidinePhenyl-2 thiazolidine [French]
Show more names
2-phenylthiazolealkane2-Phenyl-1,3-thiazolane, (1,3-Thiazolidin-2-yl)benzene
2-phenyltetrahydrothiazoleBRN 0120869phenylthiazolidin2-phenyl thiazolidine2-Phenylthiazolidine,97%Oprea1_860461CHEMBL252502-Phenyl-1,3-thiazolidine #
Database identifiers
- CAS
4569-82-8- PubChem CID
- 20706
- DTXSID
DTXSID60903063- ChEMBL
CHEMBL25250- UNII
- LP6UVF85UR
- EC Number
- 181-862-6
- Nikkaji
- J48.704J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 110 · 110-112
- Boiling point
- 300.1 · 300.1±30.0 °C(Predicted)
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- RTECS
- 6094000 · XJ6094000
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 8.06 · 8.06±0.40(Predicted)
- Appearance
- Off-white to yellow Solid
- FDA UNII
- 6 UVF85UR · LP6UVF85UR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Phenyl-1,3-thiazolane is used for synthesis of thiazolines.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
9 records
Compound notes
Loading…