HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3386643Generated: October 27, 2026
2,4,6-Tribromophenyl isocyanate
2,4,6-tribroMophenyl MaleiMid · 2 4 6-TRIBROMOPHENYL ISOCYANATE 97 · Benzene, 1,3,5-tribroMo-2-isocyanato-
https://huagongshe.com/en/chemical/3386643
Identifiers & Physical Properties
| CAS No. | 826-97-1 |
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| Molecular formula | C7H2Br3NO |
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| Average molar mass | 355.81 g/mol |
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| Monoisotopic mass | 352.76865 g/mol |
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| SMILES | O=C=Nc1c(Br)cc(Br)cc1Br |
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| InChIKey | NGVBAZXOCBEMDK-UHFFFAOYSA-N |
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| PubChem CID | 3386643 |
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| EC No. | 622-064-4 |
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| DTXSID | DTXSID40392012 |
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Chemical & Physical Properties
| XLogP | 4.8 |
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| Topological polar surface area | 29.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 193 |
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| Melting point | 94-97 °C(lit.) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H312-H315-H319-H332-H335 |
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| GHS precautionary statements | P261-P280-P305+P351+P338 |
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| Hazard symbols | Xn |
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| Risk statements (R) | 20/21/22-36/37/38 |
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| Safety statements (S) | 26-36 |
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| UN transport number | UN 3335 |
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| Water hazard class (WGK) | 3 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
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| Water hazard class (WGK) | 3 |
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| UN transport number | UN 3335 |
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| Risk statements (R) | 20/21/22-36/37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xn |
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| Safety statements (S) | 26-36 |
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| GHS hazard statements | H302-H312-H315-H319-H332-H335 |
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| GHS precautionary statements |
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