Basic information
- CAS
847818-55-7- Standard SMILES
Cn1cc(B(O)O)cn1- InChIKey
RYGOBSYXIIUFOR-UHFFFAOYSA-N- Molecular formula
- C4H7BN2O2
- Average molar mass
- 125.92 g/mol
- Monoisotopic mass
- 126.06005786
Names & identifiers
- Preferred name
- 1-Methyl-1H-pyrazole-4-boronic acid
- IUPAC
- (1-methylpyrazol-4-yl)boronic acid
- English name
- 1-Methyl-1H-pyrazole-4-boronic acid
- Molecular formula
- C4H7BN2O2
- Molecular weight
- 125.92
Names & synonyms
847818-55-71-Methyl-1H-pyrazole-4-boronic acid(1-Methyl-1H-pyrazol-4-yl)boronic acidDTXSID70460410RefChem:433889DTXCID10411229690-821-61-Methylpyrazole-4-boronic acid(1-methylpyrazol-4-yl)boronic Acid1-methyl-1H-pyrazol-4-ylboronic acidMFCD09414709N-methylpyrazole-4-boronic acid
Show more names
e-4-boronic Acid4-Borono-1-methyl-1H-pyrazole1-Methylpyrazole-4-boric acid(1-methyl-1H-pyrazol-4-yl)boro1-Methyl-4-pyrazoleboronic Acid1-Methylpyrazole-1H-4-boronic acid(1-Methyl-4-pyrazolyl)boronic acid
1-methyl-pyrazole-4-boronic acidN-methyl-pyrazole-4-boronic acid1-methyl-pyrazol-4-yl-boronic acidAB50582AC-6995F0001-21411-methyl-1H-pyrazol-4-yl-4-boronic acidBoronic acid, (1-methyl-1H-pyrazol-4-yl)-
Database identifiers
- CAS
847818-55-7- PubChem CID
- 11263501
- DTXSID
DTXSID70460410- EC Number
- 690-821-6
- Nikkaji
- J2.855.154A
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 323 · 323 ºC
- Density
- 1.23 · 1.23
- Flash point
- 149 · 149 ºC
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 7.77 · 7.77±0.10(Predicted)
- form
- solid
- color
- White
- InChI
- InChI=1S/C4H7BN2O2/c1-7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3
- InChIKey
- RYGOBSYXIIUFOR-UHFFFAOYSA-N
- SMILES
- B(C1=CN(C)N=C1)(O)O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Risk Statements
- 36 · 36/37/38
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses1-Methyl-4-pyrazoleboronic Acid is used in the synthesis of c-Met kinase inhibitor.
Uses1-Methyl-1H-pyrazole-4-boronic acid is used in the synthesis of c-Met kinase inhibitor.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
40 records
Compound notes
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