1985-12-2
4-Bromophenyl isothiocyanate
CAS: 1985-12-2
Molecular Formula: C7H4BrNS
1985-12-2 - Names and Identifiers
| Name | 4-Bromophenyl isothiocyanate |
| Synonyms | Trichofytocid 4-Bromophenyl isothiocyanate 4-BROMOPHENYL ISOTHIOCYANATE P-BROMOPHENYL ISOTHIOCYANATE Phenylisothiocyanate, 4-bromo Bromobenzene-4-isothiocyanate 1-bromo-4-isothiocyanatobenzene 4-(Isothiocyanato)-bromobenzene Benzene, 1-bromo-4-isothiocyanato- isothiocyanicacid,p-bromophenylester Isothiocaynic acid 4-bromophenyl ester Isothiocyanic acid, p-bromophenyl ester |
| CAS | 1985-12-2 |
| EINECS | 628-470-8 |
| InChI | InChI=1/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | XQACWEBGSZBLRG-UHFFFAOYSA-N |
1985-12-2 - Physico-chemical Properties
| Molecular Formula | C7H4BrNS |
| Molar Mass | 214.08 |
| Density | 1.7158 (rough estimate) |
| Melting Point | 56-58 °C (lit.) |
| Boling Point | 144-145 °C (5 mmHg) |
| Flash Point | >110°C |
| Water Solubility | 11.56mg/L(25 ºC) |
| Vapor Presure | 0.00656mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Orange to Green |
| BRN | 878549 |
| Storage Condition | Refrigerator (+4°C) |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.6070 (estimate) |
| MDL | MFCD00004808 |
1985-12-2 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R42 - May cause sensitization by inhalation |
| Safety Description | S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 2811 |
| WGK Germany | 3 |
| RTECS | NX8400000 |
| FLUKA BRAND F CODES | 10-21 |
| HS Code | 29309090 |
| Hazard Note | Harmful/Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
1985-12-2 - Reference Information
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | oral administration-rat LD50: 400 mg/kg; Abdominal cavity-mouse LDL0: 100 mg/kg |
| flammability hazard characteristics | Thermal decomposition discharges toxic bromide, nitrogen oxide and sulfur oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate from food raw materials |
| fire extinguishing agent | water, dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
Last Update：2024-04-10 22:29:15
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