Introduction：Basic information about CAS 1185072-03-0|(4,5,6,7-2H4)-1H-Benzotriazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (4,5,6,7-2H4)-1H-Benzotriazole |
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| CAS Number | 1185072-03-0 | Molecular Weight | 123.149 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 359.2±11.0 °C at 760 mmHg |
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| Molecular Formula | C6HD4N3 | Melting Point | / |
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| MSDS | USA | Flash Point | 185.7±12.2 °C |
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| Symbol |
GHS02, GHS07 | Signal Word | Danger |
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Names
| Name | 1H-Benzotriazole-(ring-d4) solution |
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| Synonym | More Synonyms |
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(4,5,6,7-2H4)-1H-Benzotriazole BiologicalActivity
| Description | 1H-Benzotriazole-4,5,6,7-d4 is the deuterium labeled 1H-Benzo[d][1,2,3]triazole[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 359.2±11.0 °C at 760 mmHg |
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| Molecular Formula | C6HD4N3 |
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| Molecular Weight | 123.149 |
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| Flash Point | 185.7±12.2 °C |
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| Exact Mass | 123.073456 |
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| PSA | 41.57000 |
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| LogP | 1.34 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.715 |
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| InChIKey | QRUDEWIWKLJBPS-RHQRLBAQSA-N |
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| SMILES | c1ccc2[nH]nnc2c1 |
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| Storage condition | ?20°C |
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Safety Information
| Symbol |
GHS02, GHS07 |
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| Signal Word | Danger |
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| Hazard Statements | H225-H319-H336 |
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| Supplemental HS | Repeated exposure may cause skin dryness or cracking. |
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| Precautionary Statements | P210-P280-P304 + P340 + P312-P305 + P351 + P338-P337 + P313-P403 + P235 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US) |
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| Hazard Codes | F,Xi |
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| Risk Phrases | 11-36-66-67 |
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| Safety Phrases | 9-16-26 |
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| RIDADR | UN1090 - class 3 - PG 2 - Acetone, solution |
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Articles1
More Articles
| Simultaneous determination of benzothiazoles, benzotriazoles and benzosulfonamides by solid phase microextraction-gas chromatography-triple quadrupole mass spectrometry in environmental aqueous matrices and human urine J. Chromatogr. A. 1338 , 164-73, (2014) • Benzothiazoles, benzotriazoles and benzosulfonamides determination in aqueous matrices. • New environmental-friendly and high-throughput protocol developed by SPME-GC-QqQMS. • Sample preparation str... | |
Synonyms
| 4,5,6,7-tetradeuterio-2H-benzotriazole |
| (4,5,6,7-H)-1H-Benzotriazole |
| 1H-1,2,3-Benzotriazole-4,5,6,7-d |
