O-p-Tolyl chlorothioformate
Basic information
- CAS
937-63-3- Standard SMILES
Cc1ccc(OC(=S)Cl)cc1- InChIKey
UNCAXIZUVRKBMN-UHFFFAOYSA-N- Molecular formula
- C8H7ClOS
- Average molar mass
- 186.66 g/mol
- Monoisotopic mass
- 185.9906137
Names & identifiers
- Preferred name
- O-p-Tolyl chlorothioformate
- IUPAC
- O-(4-methylphenyl) chloromethanethioate
- English name
- p-Tolyl chlorothionoformate
- Molecular formula
- C8H7ClOS
- Molecular weight
- 186.66
Names & synonyms
937-63-3O-p-Tolyl chlorothioformateEINECS 213-333-3DTXSID90239549RefChem:855303DTXCID90162040213-333-3p-Tolyl chlorothionoformate4-Methylphenyl chlorothioformateO-4-Methylphenyl chlorothioformateO-(4-methylphenyl) chloromethanethioateo-(4-methylphenyl) carbonochloridothioate
Show more names
P-TOLYL CHLOROTHIONOCARBONATEP-TOLYL CHLOROTHIOFORMATEp-Tolyl Chlorthioformate4-TOLYLCHLOROTHIONOFORMATEO-P-TOLYL CHLOROTHIONOFORMATEp-Tolyl chlorothionoformate,98%O-p-tolyl carbonochloridothioate
4-Tolyl chlorothionoformateCarbonochloridothioic acid, O-(4-methylphenyl) esterMFCD00014466P-TOLYLCHLOROTHIONOFORMATEO-(p-tolyl) Chloromethanethioate(4-methylphenoxy)methanethioyl chlorideo-(4-Methylphenyl) chloridothiocarbonate #GS8N9SK794
Database identifiers
- CAS
937-63-3- PubChem CID
- 70305
- DTXSID
DTXSID90239549- UNII
- GS8N9SK794
- EC Number
- 213-333-3
- Nikkaji
- J265.445H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 245 °C · 245 °C(lit.)
- Density
- 1.225 g/mL · 1.225 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.573(lit.)
- Flash point
- 205 °F · 205 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Miscible with common organic solvents.
- form
- Liquid
- Specific Gravity
- 1.225 · 1.225
- color
- Yellowish green
- Sensitive
- Moisture Sensitive
- BRN
- 1448986 · 1448986
- InChIKey
- UNCAXIZUVRKBMN-UHFFFAOYSA-N
- CAS DataBase Reference
- 937 · 937-63-3(CAS DataBase Reference)
- Comptox DTXSID
- 90239549 · DTXSID90239549
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 13-19
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2930909099
- risk_code
- 23-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T,Xi
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314-H331
- Precautionary statements
- P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
Usesp-Tolyl chlorothionoformate is used in dehydration reactions by cyclic elimination of thiocarbonate esters. It acts as a catalyst in the synthesis of alfa-L-2'-deoxythreofuranosyl nucleoside analogs and alkenes from hindered alcohols.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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