Basic information
- CAS
852362-22-2- Standard SMILES
OB(O)c1cnn(Cc2ccccc2)c1- InChIKey
JXNAIAOHYPDQQC-UHFFFAOYSA-N- Molecular formula
- C10H11BN2O2
- Average molar mass
- 202.02 g/mol
- Monoisotopic mass
- 202.0913578
Names & identifiers
- Preferred name
- 1-Benzyl-1H-pyrazole-4-boronic acid
- IUPAC
- (1-benzylpyrazol-4-yl)boronic acid
- English name
- 1-Benzyl-1H-pyrazole-4-boronic acid
- Molecular formula
- C10H11BN2O2
- Molecular weight
- 202.02
Names & synonyms
852362-22-21-Benzyl-1H-pyrazole-4-boronic acidDTXSID30391716RefChem:227918DTXCID40342577695-016-3(1-Benzyl-1H-pyrazol-4-yl)boronic acid(1-benzylpyrazol-4-yl)boronic AcidMFCD040387601-benzylpyrazole-4-boronic acidBoronic acid, [1-(phenylmethyl)-1H-pyrazol-4-yl]-AKOS004116327
Show more names
1H-Pyrazole-benzyl-4-boronic acid1-BENZYL-4-1H-PYRAZOLEBORONIC ACID1-Benzyl-1H-pyrazol-4-boronic acid1H-PYRAZOLE-1-BENZYL-4-BORONIC ACID1-BENZYL-1H-PYRAZOL-4-YLBORONIC ACID[4-(1-pyrazolylmethyl)phenyl]boronic acid
AB17200BS-2021NCGC00249527-01CS-0046117D70990EN300-212556akos brn-0254AMY1022
Database identifiers
- CAS
852362-22-2- PubChem CID
- 3352881
- DTXSID
DTXSID30391716- ChEBI
CHEBI:188912- EC Number
- 677-064-7、695-016-3
- Nikkaji
- J2.292.214I
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 76 · 76-81℃
- Boiling point
- 438.4 · 438.4±47.0 °C(Predicted)
- Density
- 1.17 · 1.17
- storage temp.
- 2 · 2-8°C
- form
- powder or crystals
- pka
- 7.73 · 7.73±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2
- InChIKey
- JXNAIAOHYPDQQC-UHFFFAOYSA-N
- SMILES
- OB(O)c1cnn(Cc2ccccc2)c1
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
Chemistry & industry
Suppliers69 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
19 records
Compound notes
Loading…