7-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-indole

HCID 53217211CAS 936901-92-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)OB(c2cc3cccc(Cl)c3[nH]2)OC1(C)C
InChIKey
GCBQXISUKKDBPP-UHFFFAOYSA-N
Molecular formula
C14H17BClNO2
Average molar mass
277.55 g/mol
Monoisotopic mass
277.10408686

Names & identifiers

Preferred name
7-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-indole
IUPAC
7-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
English name
7-Chloroindole-2-boronic acid, pinacol ester
Molecular formula
C14H17BClNO2
Molecular weight
277.55

Names & synonyms

936901-92-77-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE7-CHLOROINDOLE-2-BORONIC ACID, PINACOL ESTERMFCD16295113SCHEMBL594777(7-CHLORO-1H-INDOL-2-YL)BORONIC ACID PINACOL ESTERAKOS015999652MB14881AS-43246CS-01750017-Chloro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole7-chl
Show more names
1H-Indole, 7-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
DTXSID70682312SY420519DB-359837F2159767-chloro-2-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1H-indole

Database identifiers

CAS
936901-92-7
PubChem CID
53217211
DTXSID
DTXSID70682312

Properties

Computed structural properties

Topological polar surface area
34.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
19

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
HS Code
2933998090 · 2933998090

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers12 total

Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]

Related reactions

173 records
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Linked notes

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