Introduction：Basic information about CAS 952-97-6|(4-Nitrophenyl)(phenyl)sulfane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (4-Nitrophenyl)(phenyl)sulfane |
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| CAS Number | 952-97-6 | Molecular Weight | 231.27000 |
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| Density | 1.31g/cm3 | Boiling Point | 396.8ºC at 760mmHg |
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| Molecular Formula | C12H9NO2S | Melting Point | 52-55 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 193.8ºC |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 4-nitrophenyl phenyl sulfide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.31g/cm3 |
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| Boiling Point | 396.8ºC at 760mmHg |
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| Melting Point | 52-55 °C(lit.) |
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| Molecular Formula | C12H9NO2S |
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| Molecular Weight | 231.27000 |
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| Flash Point | 193.8ºC |
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| Exact Mass | 231.03500 |
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| PSA | 71.12000 |
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| LogP | 4.26920 |
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| Index of Refraction | 1.665 |
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| InChIKey | RJCBYBQJVXVVKB-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1ccc(Sc2ccccc2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- WQ5620000
- CHEMICAL NAME :
- Sulfide, p-nitrophenyl phenyl
- CAS REGISTRY NUMBER :
- 952-97-6
- BEILSTEIN REFERENCE NO. :
- 1912782
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H9-N-O2-S
- MOLECULAR WEIGHT :
- 231.28
- WISWESSER LINE NOTATION :
- WNR DSR
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 50 ug/plate
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 67,123,1979
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | WQ5620000 |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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| Mutagenicity of 4-nitrodiphenyl thioether-derived products and their potential metabolites. Mutat. Res. 263(1) , 13-9, (1991) 4-Nitrodiphenyl thioether (4-NO2TE) and its various potential metabolites 4-nitroso- (4-NOTE), 4-hydroxylamino- (4-NHOHTE), 4-hydroxyacetylamino- [4-N(OH)ACTE], 4-acetoxy-acetylamino- [4-N(OAc)-ACTE],... | |
Synonyms
| EINECS 213-462-5 |
| 1-nitro-4-phenylsulfanylbenzene |
| MFCD00024700 |
