Basic information
- CAS
850593-04-3- Standard SMILES
O=C(NCCO)c1ccc(B(O)O)cc1- InChIKey
UEHHULJBSYEFDG-UHFFFAOYSA-N- Molecular formula
- C9H12BNO4
- Average molar mass
- 209.01 g/mol
- Monoisotopic mass
- 209.08593826
Names & identifiers
- Preferred name
- 4-(2-Hydroxyethylcarbamoyl)benzeneboronic acid
- IUPAC
- [4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid
- English name
- 4-(2-Hydroxyethylcarbamoyl)benzeneboronic acid 98
- Molecular formula
- C9H12BNO4
- Molecular weight
- 209.01
Names & synonyms
4-(2-Hydroxyethylcarbamoyl)benzeneboronic acidRefChem:512525692-484-0850593-04-3(4-((2-Hydroxyethyl)carbamoyl)phenyl)boronic acid4-(2-Hydroxyethylcarbamoyl)phenylboronic acid[4-(2-hydroxyethylcarbamoyl)phenyl]boronic acidMFCD06659848{4-[(2-Hydroxyethyl)carbamoyl]phenyl}boronic acidBoronic acid, [4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-SCHEMBL2563018DTXSID30657167
Show more names
N-2-HYDROXYETHYL 4-BORONOBENZAMIDE4-(2-Hydroxyethylcarbamoyl)benzeneboronic acid 984-(2-Hydroxyethylcarbamoyl)benzeneboronic acid 98%Boronic acid, B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-
UEHHULJBSYEFDG-UHFFFAOYSA-NAKOS015856815BS-22343DB-108429CS-0174561H11859(4-((2-Hydroxyethyl)carbamoyl)phenyl)boronicacidF338226
Database identifiers
- CAS
850593-04-3- PubChem CID
- 44119359
- DTXSID
DTXSID30657167- EC Number
- 692-484-0
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 228 · 228-230
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 8.09 · 8.09±0.16(Predicted)
- 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/Keep Cold
- HS Code
- 2931900090 · 2931900090
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers15 total
Aladdin Scientific[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]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
天水屹垚化学有限公司0938-0938-8493022 15379872136 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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