4-Nitrophenyl chlorothioformate
Basic information
- CAS
1132-69-0- Standard SMILES
O=[N+]([O-])c1ccc(OC(=S)Cl)cc1- InChIKey
UHQPEESVLYUICU-UHFFFAOYSA-N- Molecular formula
- C7H4ClNO3S
- Average molar mass
- 217.63 g/mol
- Monoisotopic mass
- 216.9600419
Names & identifiers
- Preferred name
- 4-Nitrophenyl chlorothioformate
- IUPAC
- O-(4-nitrophenyl) chloromethanethioate
- English name
- 4-Nitrophenyl chlorothioformate
- Molecular formula
- C7H4ClNO3S
- Molecular weight
- 217.63
Names & synonyms
4-NITROPHENYL CHLOROTHIOFORMATE1132-69-0O-(4-nitrophenyl) chloromethanethioateMFCD03425108O-(4-Nitrophenyl) carbonochloridothioate4-Nitrophenyl chlorothionoformateNSC 171716NSC171716SCHEMBL3339990DTXSID90305819NSC-171716SY031200
Show more names
p-NitrophenylchlorothioformateCarbonochloridothioic acid, O-(4-nitrophenyl) ester
DB-195868H51438
Database identifiers
- CAS
1132-69-0- PubChem CID
- 299245
- DTXSID
DTXSID90305819- Nikkaji
- J876.307K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 61.5 · 61.5-63.0 °C
- Boiling point
- 323.1 · 323.1±25.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…