Basic information
- CAS
1107627-02-0- Standard SMILES
Cn1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccc21- InChIKey
BWNQSQNFMZUMNV-UHFFFAOYSA-N- Molecular formula
- C14H19BN2O2
- Average molar mass
- 258.13 g/mol
- Monoisotopic mass
- 258.153958
Names & identifiers
- Preferred name
- 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
- IUPAC
- 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
- English name
- 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
- Molecular formula
- C14H19BN2O2
- Molecular weight
- 258.12
Names & synonyms
1107627-02-01-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazoleDTXSID9011481751-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo(d)imidazoleRefChem:434420DTXCID601579747840-386-51-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazoleMFCD169959021-Methylbenzimidazole-5-boronic Acid Pinacol Ester1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[D]IMIDAZOLE
Show more names
1-Methyl-1H-benzimidazole-5-boronic acid pinacol ester1H-Benzimidazole, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1-MethylbenzimidazoSCHEMBL13028375SCHEMBL29520345BWNQSQNFMZUMNV-UHFFFAOYSA-NHUB627021-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazoleAKOS024463809CS-W007119
Properties
Computed structural properties
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 400.8 · 400.8±37.0 °C(Predicted)
- Density
- 1.11 · 1.11
- storage temp.
- 2 · 2-8°C
- pka
- 5.26 · 5.26±0.10(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers48 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
Related reactions
1 records
Compound notes
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