4-(trans-4-Pentylcyclohexyl)phenylboronic Acid

HCID 3696091CAS 143651-26-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCC1CCC(c2ccc(B(O)O)cc2)CC1
InChIKey
JFESOTHKCUMHGA-UHFFFAOYSA-N
Molecular formula
C17H27BO2
Average molar mass
274.2 g/mol
Monoisotopic mass
274.2104105

Names & identifiers

Preferred name
4-(trans-4-Pentylcyclohexyl)phenylboronic Acid
IUPAC
[4-(4-pentylcyclohexyl)phenyl]boronic acid
English name
4-(TRANS-4-PENTYLCYCLOHEXYL) PHENYL BORONIC ACID
Molecular formula
C17H27BO2
Molecular weight
274.21

Names & synonyms

4-(TRANS-4-PENTYLCYCLOHEXYL)PHENYLBORONIC ACIDRefChem:517040811-156-1143651-26-7136321-96-5(4-(trans-4-Pentylcyclohexyl)phenyl)boronic acid[4-(4-pentylcyclohexyl)phenyl]boronic acid(4-(4-Pentylcyclohexyl)phenyl)boronic acid4-(TRANS-4-PENTYLCYCLOHEXYL) PHENYL BORONIC ACIDMFCD09750938[4-(trans-4-n-Pentylcyclohexyl)phenyl]boronic acidBoronic acid, B-[4-(4-pentylcyclohexyl)phenyl]-
Show more names
4-pentylcyclohexylphenylboronic acidtrans-[4-(4-pentylcyclohexyl)phenyl]boronic acidBoronic acid, [4-(trans-4-pentylcyclohexyl)phenyl]-
4-(4-PENTYLCYCLOHEXYL)PHENYLBORONIC ACID, 97per cent(4-(trans-4-Pentylcyclohexyl);phenyl);boronic acid4-(trans-4-Pentylcyclohexyl)phenylboronic Acid (contains varying amounts of Anhydride)P23634-(trans-4-pentylcyclohexyl)benzeneboronic acid4-(4-pentylcyclohexyl)phenylboronic acidBoronic acid, [4-(4-pentylcyclohexyl)phenyl]-4-(4-PENTYLCYCLOHEXYL)PHENYLBORONIC ACID, 97%

Database identifiers

CAS
143651-26-7
PubChem CID
3696091
DTXSID
DTXSID70931978
EC Number
811-156-1
Nikkaji
J1.637.721J

Properties

Computed structural properties

Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
20

Physicochemical properties

Boiling point
421.1 · 421.1±38.0 °C(Predicted)
Density
1.01 · 1.01
storage temp.
Inert atmosphere,Room Temperature
form
powder to crystal
pka
8.7 · 8.70±0.17(Predicted)
color
White to Almost white

Safety & regulation

GHS classification

GHS Classification · 4 items

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

hs_code
2931900090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Maison Chemical Co.,Ltd.+86-008615511852758 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Related reactions

8 records
New reaction record

Linked notes

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