HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 82587Generated: October 27, 2026
Benzene-1,3,5-tricarbonitrile
benzene-1,3,5-tricarbonitrile · Tmn · Brn 1942808 · Trimesonitrile · JACS-10365-94-3 · Einecs 233-806-8 · TRIMESIC TRINITRILE · 1,3,5-Benzenetricyano
https://huagongshe.com/en/chemical/82587
Identifiers & Physical Properties
| CAS No. | 10365-94-3 |
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| Molecular formula | C9H3N3 |
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| Average molar mass | 153.14 g/mol |
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| Monoisotopic mass | 153.0326971 g/mol |
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| SMILES | N#Cc1cc(C#N)cc(C#N)c1 |
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| InChIKey | SGLGUTWNGVJXPP-UHFFFAOYSA-N |
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| PubChem CID | 82587 |
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| ChEMBL | CHEMBL3248184 |
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| EC No. | 233-806-8 |
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| DTXSID | DTXSID70145972 |
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Chemical & Physical Properties
| XLogP | 1.1 |
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| Topological polar surface area | 71.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 240 |
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| SpringerMaterials Properties | Schoenflies notation |
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| Melting point | 261-263 °C |
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| Boiling point | 256.2±20.0 °C(Predicted) |
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| Density | 1.27±0.1 g/cm3(Predicted) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| Physical state | powder to crystal |
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| Color | White to Light yellow |
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| InChI | InChI=1S/C9H3N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H |
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| InChIKey | SGLGUTWNGVJXPP-UHFFFAOYSA-N |
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| SMILES | C1(C#N)=CC(C#N)=CC(C#N)=C1 |
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| EWG's Food Scores | 1 |
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| FDA UNII | RP759CBJ5C |
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| GHS pictogram | GHS06 |
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| Signal word | Danger |
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| GHS hazard statements | H319-H301+H311+H331-H315 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
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| UN transport number | UN 3439 6.1/PG III |
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| RTECS number | DC1958000 |
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| Hazard class | 6.1 |
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| Packing group | III |
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| Customs code | 2926907090 |
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Safety & Regulations
| GHS classification | DangerH301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| RTECS number | DC1958000 |
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| UN transport number | UN 3439 6.1/PG III |
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| Customs code | 2926907090 |
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| Signal word | Danger |
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| GHS pictogram | GHS06 |
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| Hazard class | 6.1 |
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| Packing group | III |
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| GHS hazard statements | H319-H301+H311+H331-H315 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
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