Basic information
- CAS
5826-76-6- Standard SMILES
COP(=S)(OC)Oc1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
UFNIXJPHHIPRFX-UHFFFAOYSA-N- Molecular formula
- C8H9ClNO5PS
- Average molar mass
- 297.65 g/mol
- Monoisotopic mass
- 296.9627583
Names & identifiers
- Preferred name
- Phosnichlor
- IUPAC
- (4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
- English name
- (4-chloro-3-nitro-phenoxy)-dimethoxy-sulfanylidene-phosphorane
- Molecular formula
- C8H9ClNO5PS
- Molecular weight
- 297.65
Names & synonyms
Phosnichlor5826-76-6Phosnichlor [ISO:BSI]UNII-6X2G6LQD3I6X2G6LQD3IBAY 22330O-(4-Chloro-3-nitrophenyl) O,O-dimethyl phosphorothioateBRN 2539255DTXSID1042287Phosphorothioic acid, O-(4-chloro-3-nitrophenyl) O,O-dimethyl ester4-06-00-01353 (Beilstein Handbook Reference)O-4-CHLORO-3-NITROPHENYL O,O-DIMETHYL PHOSPHOROTHIOATE
Show more names
(4-chloro-3-nitro-phenoxy)-dimethoxy-sulfanylidene-phosphoranephosnichlor O-4-chloro-3-nitrophenyl O,O-dimethyl phosphorothioate
RefChem:173498DTXCID9022287PHOSNICHLOR [ISO](4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphaneSCHEMBL119504UFNIXJPHHIPRFX-UHFFFAOYSA-N(4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-phosphoraneNS00125637
Database identifiers
- CAS
5826-76-6- PubChem CID
- 201362
- DTXSID
DTXSID1042287- UNII
- 6X2G6LQD3I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 122 °C · 122 °C(Press: 0.01 Torr)
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 X2G6LQD3I · 6X2G6LQD3I
- EPA Substance Registry System
- Phosnichlor (5826-76-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 13 · 13
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
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 13
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers1 total
天津市风船化学试剂科技有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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