Basic information
- CAS
4737-50-2- Standard SMILES
CCCCCB(O)O- InChIKey
ABWPXVJNCQKYDR-UHFFFAOYSA-N- Molecular formula
- C5H13BO2
- Average molar mass
- 115.97 g/mol
- Monoisotopic mass
- 116.10086006
Names & identifiers
- Preferred name
- Pentylboronic Acid
- IUPAC
- pentylboronic acid
- English name
- n-Pentylboronic acid
- Molecular formula
- C5H13BO2
- Molecular weight
- 115.97
Names & synonyms
pentylboronic acidRefChem:860096808-197-2n-Pentylboronic acid4737-50-21-Pentaneboronic acidBoronic acid, pentyl-MFCD01074651Pentylboronsaure3WP8AMD5MWB-PENTYLBORONIC ACIDNSC-524968
Show more names
N-Pentylboronicn-PentylboronicaciRARECHEM AH PB 02471-PENTYLBORONIC ACIDN-Pentaneboronic acidPENTYLDIHYDROXYBORANE1-pentane boronic acid
DTXSID50326166NSC524968CS-W018820AB08098P2267n-PentylboronicacidPentyl boronic acidBoronic acid, B-pentyl-
Database identifiers
- CAS
4737-50-2- PubChem CID
- 352103
- DTXSID
DTXSID50326166- UNII
- 3WP8AMD5MW
- EC Number
- 808-197-2
- Nikkaji
- J1.330.485H
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 47.7
Physicochemical properties
- Melting point
- 94 °C · 94°C(lit.)
- Boiling point
- 207.9 · 207.9±23.0 °C(Predicted)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform, DMSO
- pka
- 10.37 · 10.37±0.43(Predicted)
- form
- solid
- color
- white to off-white
- InChI
- InChI=1S/C5H13BO2/c1-3-4-5(2)6(7)8/h5,7-8H,3-4H2,1-2H3
- InChIKey
- RGTLYZSQOQHZAT-UHFFFAOYSA-N
- SMILES
- CC(B(O)O)CCC
- FDA UNII
- 3 WP8AMD5MW · 3WP8AMD5MW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501A
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37
- TSCA
- No
- HS Code
- 2931900090 · 2931900090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- tsca
- No
- hs_code
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340-P405-P501A
Chemistry & industry
Applications
UsesN-Pentylboronic Acid is used in the synthesis of (-)-Δ8-THC and (-)-Δ9-THC. Also it aids in the synthesis of boronic acid inhibitors of endothelial lipase.
Suppliers100 total
临沂锎源化学科技有限公司13188735557 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [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]
郑州德元凯化工有限公司17837139533 · [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]
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]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海乔木化学科技有限公司021-60451683 15021268886 · [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]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
上海亚毓生物医药有限公司021-54370211 18051886391 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海寰川实业有限公司021-61478794 · [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]
凯试（上海）科技有限公司021-50135380 · [email protected]
苏州新凯生物医药技术有限公司0512-67213637 13952409868 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [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]
Related reactions
2 records
Compound notes
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