Basic information
- CAS
590418-08-9- Standard SMILES
Cn1ncc2cc(B(O)O)ccc21- InChIKey
FPZFXDGMBDJLHR-UHFFFAOYSA-N- Molecular formula
- C8H9BN2O2
- Average molar mass
- 175.98 g/mol
- Monoisotopic mass
- 176.07570793
Names & identifiers
- Preferred name
- 1-Methyl-1H-indazole-5-boronic acid
- IUPAC
- (1-methylindazol-5-yl)boronic acid
- English name
- 1-Methylindazol-5-boronic acid
- Molecular formula
- C8H9BN2O2
- Molecular weight
- 175.98
Names & synonyms
1-Methyl-1H-indazole-5-boronic acidRefChem:433851688-413-8590418-08-9(1-methyl-1H-indazol-5-yl)boronic acid1-Methyl-1H-indazol-5-yl-5-boronic acid1-Methylindazole-5-boronic acid1-METHYLINDAZOL-5-BORONIC ACID1-Methyl-1H-indazol-5-ylboronic acidMFCD09870052(1-methylindazol-5-yl)boronic acid1-methyl-indazole-5-boronic acid
Show more names
5-Borono-1-methyl-1H-indazole1-Methylindazol-5-ylboronic acid1-Methyl-1H-indazol-5-boronic acidB-(1-Methyl-1H-indazol-5-yl)boronic acid
AKOS005258539EN300-212638Boronic acid, (1-methyl-1H-indazol-5-yl)-(1-methyl-5-indazolyl)boronic acid3-boronic acid-1-methyl-1H-indazoleFT-0685424SCHEMBL21172SCHEMBL29722623
Database identifiers
- CAS
590418-08-9- PubChem CID
- 22558910
- DTXSID
DTXSID20626443- EC Number
- 688-413-8
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 397.5 · 397.5±34.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Solid
- pka
- 8.28 · 8.28±0.30(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H9BN2O2/c1-11-8-3-2-7(9(12)13)4-6(8)5-10-11/h2-5,12-13H,1H3
- InChIKey
- FPZFXDGMBDJLHR-UHFFFAOYSA-N
- SMILES
- B(C1C=CC2=C(C=1)C=NN2C)(O)O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
- HS Code
- 2933998090 · 2933998090
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]
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-Methyl-1H-indazol-5-yl-5-boronic acid is a useful research chemical.
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [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]
苏州启航生物科技有限公司18151111370 · [email protected]
上海今寅生物科技有限公司021-20986266 18019349802 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
安徽合诺生物科技有限公司18455579438
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
常州凯立医药科技有限公司0519-81096292 15312577869 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
镇江卡博医药科技有限公司0511-81886918 18136818960 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
苏州宏雄生物科技有限公司18051745768
上海将来实业股份有限公司021-61552785 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海蓉霖医药科技有限公司18602194589 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
Related reactions
39 records
Compound notes
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