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Boric acid (H3BO3), tris(methylphenyl) ester

HCID 75875
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
26248-41-9
Standard SMILES
Cc1ccccc1OB(Oc1ccccc1C)Oc1ccccc1C
InChIKey
RTMBXAOPKJNOGZ-UHFFFAOYSA-N
Molecular formula
C21H21BO3
Average molar mass
332.2 g/mol
Monoisotopic mass
332.1583747

Names & identifiers

Preferred name
Boric acid (H3BO3), tris(methylphenyl) ester
IUPAC
tris(2-methylphenyl) borate
English name
BORIC ACID TRI-O-TOLYL ESTER
Molecular formula
C21H21BO3
Molecular weight
332.2

Names & synonyms

Tri-o-tolyl Boratetris(2-methylphenyl) borateTricresyl borate26248-41-9Boric acid (H3BO3), tris(methylphenyl) esterEINECS 247-538-4DTXSID10949113RefChem:569988DTXCID901377316664-339-12665-12-5BORICACIDTRI-O-TOLYLESTER
Show more names
boricacidtritolylesterTri-o-tolyl Borate >Tri-o-tolyl Boratetris(2-methylphenoxy)boraneBORIC ACID TRI-O-TOLYL ESTERBORIC ACID TRI-O-CRESYL ESTERboricacidtris(2-methylphenyl)esterBoric Acid Tri-o-cresyl Ester Tri-o-cresyl Borate Boric Acid Tri-o-tolyl Ester
Tri-o-cresyl borateBoric acid, tri-o-cresyl esterMFCD00059311Boric acid (H3BO3), tri-o-tolyl estero-Tolyl borate, (C7H7O)3 BBoric acid (H3BO3), tris(2-methylphenyl) esterKAK6M643K3NSC-807

Database identifiers

CAS
26248-41-9、2665-12-5
PubChem CID
75875
DTXSID
DTXSID10949113
UNII

Properties

Computed structural properties

Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
334

Physicochemical properties

Boiling point
386 °C · 386 °C
Density
1.09 · 1.09
vapor density
11.4 · 11.4
refractive index
1.555 · 1.5550-1.5590
Flash point
174 °C · 174 °C
form
clear liquid
color
Straw-yellow liquid
Odor
odor of o-cresol
CAS DataBase Reference
2665 · 2665-12-5
FDA UNII
6 M643K3 · KAK6M643K3
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312+P330-P501
RTECS
4960000 · ED4960000
HS Code
2931.9 · 2931.90.6000
Toxicity
100 mg · eye-rbt 100 mg SEV 14KTAK -,706,64

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

Danger

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 (97.4%)

Safety data

rtecs
ED4960000
hs_code
2931.90.6000
Toxicity
eye-rbt 100 mg SEV 14KTAK -,706,64
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312+P330-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBoric acid (H3BO3), tris(methylphenyl) ester: INACTIVE

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
KAK6M643K3
EC Number
247-538-4、664-339-1
Nikkaji
J42.800K