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Basic information
- CAS
159896-15-8- Standard SMILES
O=C(O)/C=C/c1ccc(B(O)O)cc1- InChIKey
IEMLKNHGGSYOMP-ZZXKWVIFSA-N- Molecular formula
- C9H9BO4
- Average molar mass
- 191.98 g/mol
- Monoisotopic mass
- 192.0593889
Names & identifiers
- Preferred name
- 4-(Carboxyvin-2-Yl)Phenylboronic Acid
- IUPAC
- (E)-3-(4-boronophenyl)prop-2-enoic acid
Names & synonyms
4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID(2E)-3-[4-(DIHYDROXYBORANYL)PHENYL]PROP-2-ENOIC ACID(2E)-3-(4-(dihydroxyboranyl)phenyl)prop-2-enoic acidRefChem:97391159896-15-8(E)-3-(4-Boronophenyl)acrylic acid3-(4-Boronophenyl)Acrylic Acid4-(E-2-Carboxyvinyl)phenylboronic acid4-(2-CARBOXYVINYL)BENZENEBORONIC ACID4-(2-Carboxyvinyl)phenylboronic acid2-Propenoic acid, 3-(4-boronophenyl)-, (2E)-(E)-3-(4-boronophenyl)prop-2-enoic acid
Show more names
C9H9BO4MFCD01075704CHEMBL1399284-Boronocinnamic acid4-(E-2-Carboxyvinyl)benzeneboronic acid2-Propenoic a4-[(E)-2-Carboxyvinyl]benzeneboronic acid3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid
Database identifiers
- CAS
159896-15-8- PubChem CID
- 5288001
- DTXSID
DTXSID301381723- ChEMBL
CHEMBL139928- EC Number
- 687-142-2
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 (97.5%)
Chemistry & industry
Suppliers19 total
山东玖玥生物科技有限公司15553333686
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
成都叮当时代医药科技有限公司028-86040038 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
山东明德生物技术有限公司15553348166 · [email protected]
Related reactions
1 records
Compound notes
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