CAS 104-49-4|1,4-Diisocyanatobenzene
Introduction：Basic information about CAS 104-49-4|1,4-Diisocyanatobenzene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,4-Diisocyanatobenzene | ||
|---|---|---|---|
| CAS Number | 104-49-4 | Molecular Weight | 160.130 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 236.2±23.0 °C at 760 mmHg |
| Molecular Formula | C8H4N2O2 | Melting Point | 96-99 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 92.4±28.0 °C |
| Symbol | GHS05, GHS07, GHS08 | Signal Word | Danger |
Names
| Name | 1,4-Phenylene diisocyanate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 236.2±23.0 °C at 760 mmHg |
| Melting Point | 96-99 °C(lit.) |
| Molecular Formula | C8H4N2O2 |
| Molecular Weight | 160.130 |
| Flash Point | 92.4±28.0 °C |
| Exact Mass | 160.027283 |
| PSA | 58.86000 |
| LogP | 2.85 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.567 |
| InChIKey | ALQLPWJFHRMHIU-UHFFFAOYSA-N |
| SMILES | O=C=Nc1ccc(N=C=O)cc1 |
| Stability | Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive. |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530176 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 335 mg/m3/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0543429 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 77100 ug/kg/7H/5D-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 77100 ug/kg/7H/5D-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 77100 ug/kg/7H/5D-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 77100 ug/kg/7H/5D-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 77100 ug/kg/7H/5D-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
Safety Information
| Symbol | GHS05, GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302 + H312 + H332-H315-H318-H334 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P342 + P311 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R20/21/22;R36/37/38;R42 |
| Safety Phrases | S22-S26-S36/37 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | CZ6150000 |
| Hazard Class | 6.1 |
| HS Code | 2929109000 |
Customs
| HS Code | 2929109000 |
|---|---|
| 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
| 1,4-Phenylene Diisocyanate |
| Benzene, 1,4-diisocyanato- |
| Benzene 1,4-Diisocyanate |
| EINECS 203-207-6 |
| MFCD00002025 |
| 1,4-Diisocyanatobenzene |
