(3as)-5-azido-7-bromo-3a 4 5 7a-tetrahy&
(3as)-5-azido-7-bromo-3a 4 5 7a-tetrahy& structure
|
Common Name | (3as)-5-azido-7-bromo-3a 4 5 7a-tetrahy& | ||
|---|---|---|---|---|
| CAS Number | 171916-75-9 | Molecular Weight | 290.11400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H12BrN3O3 | Melting Point | 116-118ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: [3aS-(3aα,4α,5β,7aα)]-5-azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole-4-ol, also known as (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4-ol, with Chinese name (3as)-5-azido-7-bromo-3a 4 5 7a-tetrahydro. CAS number: 171916-75-9, molecular formula: C9H12BrN3O3, molecular weight: 290.11400. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Melting Point | 116-118ºC(lit.) |
|---|---|
| Molecular Formula | C9H12BrN3O3 |
| Molecular Weight | 290.11400 |
| Exact Mass | 289.00600 |
| PSA | 88.44000 |
| LogP | 1.29146 |
| InChIKey | PRQOGQGZCPGPSH-OSMVPFSASA-N |
| SMILES | CC1(C)OC2C(Br)=CC(N=[N+]=[N-])C(O)C2O1 |
| Storage condition | ?20°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Phrases | 36/37/38 |
| Safety Phrases | 26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| [3aS-(3a|A,4|A,5|A,7a|A)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol |
| MFCD01863546 |
| [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: InChIKey of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol is PRQOGQGZCPGPSH-OSMVPFSASA-N. |
| Q: What English synonyms does (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol have? |
| A: English synonyms of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol: [3aS-(3a|A,4|A,5|A,7a|A)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol, MFCD01863546, [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol. |
| Q: What is the polar surface area (PSA) of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: Polar surface area (PSA) of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol is 88.44000. |
| Q: What is the CAS number of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: CAS number of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol is 171916-75-9. |
| Q: What is the melting point of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: Melting point of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol is 116-118ºC(lit.). |
| Q: What is the molecular weight of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: Molecular weight of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol is 290.11400. |
| Q: What is the safety information for (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: Safety information for (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol: 26. |
| Q: What is the molecular formula of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: Molecular formula of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol is C9H12BrN3O3. |
| Q: What is the SMILES notation of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: SMILES notation of (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol is CC1(C)OC2C(Br)=CC(N=[N+]=[N-])C(O)C2O1. |
| Q: What are the storage conditions for (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol? |
| A: Storage conditions for (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol: ?20°C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |