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Basic information
- CAS
105365-50-2- Standard SMILES
CCCCCCc1ccc(B(O)O)cc1- InChIKey
CFYBKGAFWFRFRJ-UHFFFAOYSA-N- Molecular formula
- C12H19BO2
- Average molar mass
- 206.09 g/mol
- Monoisotopic mass
- 206.14781025
Names & identifiers
- Preferred name
- 4-Hexylphenylboronic Acid
- IUPAC
- (4-hexylphenyl)boronic acid
- English name
- 4-n-Hexylbenzeneboronic acid
- Molecular formula
- C12H19BO2
- Molecular weight
- 206.09
Names & synonyms
4-Hexylphenylboronic acid105365-50-2DTXSID70400715RefChem:293057DTXCID70351571808-152-7(4-hexylphenyl)boronic Acid4-n-Hexylphenylboronic acid4-N-HEXYLBENZENEBORONIC ACIDMFCD040390294-(Hex-1-yl)benzeneboronic acidBoronic acid, (4-hexylphenyl)-
Show more names
AKOS BRN-01534-Hexylphenylboronicaci1-Borono-4-(hex-1-yl)benzeneB-(4-Hexylphenyl)boronic acidBoronic acid,B-(4-hexylphenyl)-
4-HexylphenylboronicAcidp-hexylphenylboronic acid4-hexylbenzeneboronic acid4-hexylphenyl-boronic acid4-(n-hexyl)phenylboronic acidSCHEMBL3136892CFYBKGAFWFRFRJ-UHFFFAOYSA-NAKOS004116074
Database identifiers
- CAS
105365-50-2- PubChem CID
- 4197864
- DTXSID
DTXSID70400715- EC Number
- 808-152-7
- Nikkaji
- J3.196.317F
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 81 · 81-84°
- Boiling point
- 342.6 · 342.6±35.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- pka
- 8.73 · 8.73±0.16(Predicted)
- form
- Solid
- color
- White to Almost 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.
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers87 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
5 records
Compound notes
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