2-Chloro-1,3,2-benzodioxaborole

HCID 4136924
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Basic information

CAS
55718-76-8
Standard SMILES
ClB1Oc2ccccc2O1
InChIKey
AZYGEWXDKHFOKB-UHFFFAOYSA-N
Molecular formula
C6H4BClO2
Average molar mass
154.36 g/mol
Monoisotopic mass
153.99928745

Names & identifiers

Preferred name
2-Chloro-1,3,2-benzodioxaborole
IUPAC
2-chloro-1,3,2-benzodioxaborole
English name
2-Chloro-1,3,2-benzodioxaborole
Molecular formula
C6H4BClO2
Molecular weight
154.36

Names & synonyms

55718-76-82-Chloro-1,3,2-benzodioxaboroleDTXSID10399755RefChem:86105DTXCID40350612628-352-6B-Chlorocatecholborane2-Chlorobenzo[d][1,3,2]dioxaboroleMFCD000433952-chloro-2H-1,3,2-benzodioxaborole1,3,2-Benzodioxaborole, 2-chloro-chlorocatecholborane
Show more names
2-Chlorobenzo[d][1?ChlorocatecholboraneSS-CHLOROCATECHOLBORANEiBi-ChlorocatecholboraneBETA-CHLOROCATECHOLBORANEB-Chlorocatecholborane 97%2-Chlor-1,3,2-benzodioxaborol
C6H4BClO2SCHEMBL28709B-Chlorocatecholborane, 97%SCHEMBL30570328AKOS025213343AS-55608FB160594SY248449

Database identifiers

CAS
55718-76-8
PubChem CID
4136924
DTXSID
DTXSID10399755
EC Number
628-352-6
Nikkaji
J510.753I

Properties

Computed structural properties

Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
56 · 56-58 °C (lit.)
Boiling point
64 °C · 64 °C(Press: 10 Torr)
Density
1.31 · 1.31±0.1 g/cm3(Predicted)
Flash point
140 °F · 140 °F
storage temp.
2 · 2-8°C
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Sol. 1 (100%)

Safety data

F
10-23
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
ridadr
UN 2925 4.1/PG 2
hs_code
2915.40.5050
risk_code
11-14-34-37

Chemistry & industry

Applications · 2 items

UsesB-Chlorocatecholborane can be used:To prepare 2-arachidonoylglycerol by acetal cleavage of cis-arachidonoylbenzylidene glycerol.To prepare metal boryl complexes (Rh and Ir complexes) through oxidative addition.To remove the trityl group in one of the key steps for the synthesis of ()-dictyostatin.

General DescriptionB-Chlorocatecholborane is a boron reagent and a Lewis acid, known to facilitate the borylative cyclization of alkynes to yield the borylated heterocycles. It is also used in the preparation of lactones, and thiophenes.

Suppliers35 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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