Basic information
- CAS
913836-12-1- Standard SMILES
COc1ccc(B(O)O)cc1C(=O)O- InChIKey
YZKWFWNYFKBAHO-UHFFFAOYSA-N- Molecular formula
- C8H9BO5
- Average molar mass
- 195.97 g/mol
- Monoisotopic mass
- 196.05430379
Names & identifiers
- Preferred name
- 5-Borono-2-methoxybenzoic acid
- IUPAC
- 5-borono-2-methoxybenzoic acid
- English name
- 3-Carboxy-4-methoxyphenylboronic acid
- Molecular formula
- C8H9BO5
- Molecular weight
- 195.97
Names & synonyms
5-Borono-2-methoxybenzoic acid913836-12-13-CARBOXY-4-METHOXYPHENYLBORONIC ACIDMFCD062033225-(dihydroxyboranyl)-2-methoxybenzoic acidBenzoicacid, 5-borono-2-methoxy- (9CI)3-Carboxy-4-methoxybenzeneboronic acidDTXSID60657054AKOS006346721CS-W022294AB23171DS-1805
Show more names
5-Borono-2-methoxybenzoicaciBenzoic acid, 5-borono-2-methoxy-5-BORONO-2-METHOXYPHENYLBORONIC ACID3-Carboxy-4-methoxybenzeneboronicacid98%5-(dihydroxyboryl)-2-Methoxybenzoic acid3-Carboxy-4-methoxybenzeneboronic acid 98%
5-Borono-2-methoxy-benzoic acidFT-06947495-Borono-2-methoxybenzoicacidSCHEMBL1163265SCHEMBL29955154YZKWFWNYFKBAHO-UHFFFAOYSA-NSY0248933-CARBOXY-4-METHOXYPHENYLBORONIC A
Database identifiers
- CAS
913836-12-1- PubChem CID
- 44119154
- DTXSID
DTXSID60657054- Nikkaji
- J3.470.583F
Properties
Computed structural properties
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 176 · 176-177
- Boiling point
- 442.5 · 442.5±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- 4.1 · 4.10±0.10(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers54 total
Zhengzhou Anhuida Chemical Co., Ltd+86-15903659408 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
硼诺科技（北京）有限公司010-15313962280 15313962280 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Aladdin Scientific[email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
7 records
Compound notes
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