HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

Triacetyl borate

HCID 425307
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
4887-24-5
Standard SMILES
CC(=O)OB(OC(C)=O)OC(C)=O
InChIKey
KWZWNVAHEQHCTQ-UHFFFAOYSA-N
Molecular formula
C6H9BO6
Average molar mass
187.95 g/mol

Names & identifiers

Preferred name
Triacetyl borate
IUPAC
diacetyloxyboranyl acetate

Names & synonyms

triacetyl borateRefChem:899011DTXCID50198406DTXSID70866574684-482-3NOCAS_866574Triacetoxyboron4887-24-5diacetyloxyboranyl acetatetriacetoxyboranebis(acetyloxy)boranyl acetateNSC172808
Show more names
BORON TRIACETATEdiacetoxyboranyl acetateSCHEMBL6319C6H9BO6KWZWNVAHEQHCTQ-UHFFFAOYSA-NMFCD07783146AKOS006282297NSC-172808

Database identifiers

CAS
4887-24-5
PubChem CID
425307
EC Number
684-482-3
Nikkaji
J265.531D

Properties

Computed structural properties

Topological polar surface area
78.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
13
Formal charge
0
Complexity
187

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

8 records
New reaction record
HRID 88365 reaction equation
HRID 88365As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 672521 reaction equation
HRID 672521As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 682045 reaction equation
HRID 682045As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 945379 reaction equation
HRID 945379As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1139900 reaction equation
HRID 1139900As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1839862 reaction equation
HRID 1839862As reactantuspto-grants-2004_01
HRID 2149881 reaction equation
HRID 2149881As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2159832 reaction equation
HRID 2159832As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes