Introduction：Basic information about CAS 7612-96-6|4-Phenylazophenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Phenylazophenyl isothiocyanate |
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| CAS Number | 7612-96-6 | Molecular Weight | 239.29600 |
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| Density | 1.15g/cm3 | Boiling Point | 402.4ºC at 760mmHg |
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| Molecular Formula | C13H9N3S | Melting Point | 94ºC |
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| MSDS | / | Flash Point | 211.3ºC |
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Names
| Name | 4-Phenylazophenyl isothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.15g/cm3 |
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| Boiling Point | 402.4ºC at 760mmHg |
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| Melting Point | 94ºC |
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| Molecular Formula | C13H9N3S |
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| Molecular Weight | 239.29600 |
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| Flash Point | 211.3ºC |
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| Exact Mass | 239.05200 |
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| PSA | 69.17000 |
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| LogP | 4.83630 |
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| Index of Refraction | 1.629 |
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| InChIKey | ZTXNMMXJFVCQPD-UHFFFAOYSA-N |
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| SMILES | S=C=Nc1ccc(N=Nc2ccccc2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX9125000
- CHEMICAL NAME :
- Isothiocyanic acid, (p-phenylazo)phenyl ester
- CAS REGISTRY NUMBER :
- 7612-96-6
- BEILSTEIN REFERENCE NO. :
- 0745897
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H9-N3-S
- MOLECULAR WEIGHT :
- 239.31
- WISWESSER LINE NOTATION :
- SCNR DNUNR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02685
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Safety Information
| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RIDADR | UN 2811 |
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| Packaging Group | II |
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| Hazard Class | 6.1 |
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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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Synonyms
| (4-isothiocyanatophenyl)-phenyldiazene |
| MFCD00041092 |
