Basic information
- CAS
78038-43-4- Standard SMILES
O=[N+]([O-])c1ccc([C@@H]2CO2)cc1- InChIKey
YKIUTLHCSNCTDZ-QMMMGPOBSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259308
Names & identifiers
- Preferred name
- (R)-2-(4-Nitrophenyl)oxirane
- IUPAC
- (2R)-2-(4-nitrophenyl)oxirane
- English name
- (r)-4-nitrostyrene oxide
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
(R)-2-(4-Nitrophenyl)oxirane(2R)-2-(4-NITROPHENYL)OXIRANE(R)-4-Nitrostyrene oxideDTXSID70361256RefChem:407180DTXCID30312305625-691-178038-43-4(R)-PARA-NITROSTYRENE OXIDE(R)-(4-Nitrophenyl)oxirane(r)-p-nitrostyrene oxideSCHEMBL1582559
Show more names
Oxirane,2-(4-nitrophenyl)-, (2R)-
YQF4742YKIUTLHCSNCTDZ-QMMMGPOBSA-NAKOS017390835DB04777RNODB-075403NS00068448G81706
Database identifiers
- CAS
78038-43-4- PubChem CID
- 1237170
- DTXSID
DTXSID70361256- EC Number
- 625-691-1
- Nikkaji
- J415.675G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 302.7 · 302.7±30.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses(R)-(4-Nitrophenyl)oxirane is used as a reagent in the enantioconvergent synthesis of the β-blocker (R)-Nifenalol which is based on a combined chemoenzymic approach.
Suppliers6 total
西安华瑞致远生物科技有限公司18014474522 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
Related reactions
1 records
Compound notes
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