Introduction：Basic information about CAS 123-61-5|1,3-PHENYLENE DIISOCYANATE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3-PHENYLENE DIISOCYANATE |
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| CAS Number | 123-61-5 | Molecular Weight | 160.13000 |
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| Density | 1.17g/cm3 | Boiling Point | 121 °C25 mm Hg(lit.) |
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| Molecular Formula | C8H4N2O2 | Melting Point | 49-51 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | >230 °F |
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| Symbol |
GHS07, GHS08 | Signal Word | Danger |
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Names
| Name | 1,3-phenylene diisocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.17g/cm3 |
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| Boiling Point | 121 °C25 mm Hg(lit.) |
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| Melting Point | 49-51 °C(lit.) |
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| Molecular Formula | C8H4N2O2 |
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| Molecular Weight | 160.13000 |
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| Flash Point | >230 °F |
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| Exact Mass | 160.02700 |
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| PSA | 58.86000 |
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| LogP | 1.62120 |
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| Vapour Pressure | 0.0801mmHg at 25°C |
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| Index of Refraction | 1.567 |
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| InChIKey | VGHSXKTVMPXHNG-UHFFFAOYSA-N |
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| SMILES | O=C=Nc1cccc(N=C=O)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NR0150000
- CHEMICAL NAME :
- Isocyanic acid, m-phenylene ester
- CAS REGISTRY NUMBER :
- 123-61-5
- BEILSTEIN REFERENCE NO. :
- 0776957
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H4-N2-O2
- MOLECULAR WEIGHT :
- 160.14
- WISWESSER LINE NOTATION :
- OCNR CNCO
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5600 ug/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#07804
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Safety Information
| Symbol |
GHS07, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H302 + H312 + H332-H315-H319-H334-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338-P342 + P311 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S22-S26-S36/37 |
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| RIDADR | UN 2810 6.1/PG 3 |
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| WGK Germany | 3 |
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| RTECS | NR0150000 |
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| Packaging Group | II |
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| Hazard Class | 6.1 |
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| HS Code | 2929109000 |
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Customs
| HS Code | 2929109000 |
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| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 1,3-Phenylene Diisocyanate |
| EINECS 204-637-7 |
| Benzene 1,3-Diisocyanate |
| MFCD00002018 |
| 1,3-diisocyanatobenzene |
