Basic information
- CAS
389621-84-5- Standard SMILES
O=C(c1ccc(B(O)O)cc1)N1CCOCC1- InChIKey
KMNLIQJXZPBCDU-UHFFFAOYSA-N- Molecular formula
- C11H14BNO4
- Average molar mass
- 235.05 g/mol
- Monoisotopic mass
- 235.1015881
Names & identifiers
- Preferred name
- [4-(Morpholine-4-carbonyl)phenyl]boronic acid
- IUPAC
- [4-(morpholine-4-carbonyl)phenyl]boronic acid
- English name
- 4-(Morpholine-4-carbonyl)phenylboronic acid
- Molecular formula
- C11H14BNO4
- Molecular weight
- 235.04
Names & synonyms
389621-84-5(4-(Morpholine-4-carbonyl)phenyl)boronic acid[4-(morpholine-4-carbonyl)phenyl]boronic AcidDTXSID50378544RefChem:208516DTXCID503295714-(Morpholine-4-carbonyl)phenylboronic acid4-(Morpholinocarbonyl)phenyl boronic acidMFCD034119524-(Morpholinocarbonyl)benzeneboronic AcidBORONIC ACID, [4-(4-MORPHOLINYLCARBONYL)PHENYL]-4-(Morpholine-4-carbonyl)phebylboronic acid
Show more names
4-(4-Boronobenzoyl)morpholineN-MORPHOLINYL 4-BORONOBENZAMIDE(4-boronophenyl)(morpholin-4-yl)methanone4-(Morpholine-4-carbonyl)phenylboronicaci4-(4-MORPHOLINYLCARBONYL)PHENYLBORONIC ACID4-(MORPHOLINE-4-CARBONYL)BENZENEBORONIC ACID
SCHEMBL1090914-[(MORPHOLIN-4-YL)CARBONYL]BENZENEBORONIC ACIDKMNLIQJXZPBCDU-UHFFFAOYSA-NAB1076SBB098352AKOS015855865AB14322AS-2463
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 126 · 126-132°C
- Boiling point
- 481.6 · 481.6±55.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.29 · 8.29±0.16(Predicted)
- form
- solid
- color
- white
- InChI
- 1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
- InChIKey
- KMNLIQJXZPBCDU-UHFFFAOYSA-N
- SMILES
- OB(O)c1ccc(cc1)C(=O)N2CCOCC2
- CAS DataBase Reference
- 389621 · 389621-84-5(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- 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
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-(Morpholinocarbonyl)benzeneboronic Acid, is a building block used for the synthesis of various pharmaceutical and biologically active compounds. It is used for the synthesis of a series of arylphthalazine derivatives as potent, and orally bioavailable inhibitors of VEGFR-2.
Suppliers53 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
29 records
Compound notes
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