CAS 21988-87-4|1,3,5-Tri(bromomethyl)-2,4,6-trimethylbenzene|1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene|1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene|2,4,6-三溴甲基三甲基苯|2,4,6-Tris(bromometh...

Molecular Formula

C₁₂H₁₅Br₃

Molecular Mass

398.9595

Exact Mass

395.87238648

InChI

InChI=1S/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3

InChIKey

BHIFXIATEXVOQA-UHFFFAOYSA-N

Canonic Smiles

BrCc1c(C)c(CBr)c(c(c1C)CBr)C

Isomeric Smiles

BrCc1c(c(c(c(c1C)CBr)C)CBr)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.8317223

LogD (pH = 7.4)

5.8317223

Log P

5.8317223

Molar Refractivity

79.7328

Polarizability

29.525892

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Academic Data

PubChem

89140

IUPAC Traditional name

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

Synonyms

1,3,5-Tri(bromomethyl)-2,4,6-trimethylbenzene2,4,6-三溴甲基三甲基苯2,4,6-Tris(bromomethyl)mesitylene1,3,5-Tris(broMoMethyl)-2,4,6-triMethylbenzene

IUPAC name

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

PubChem SID

16207415224864231

MDL Number

MFCD00192554

CAS Number

21988-87-4

Storage Warning

Irritant

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H302-H312-H314-H332

Hazard Class

German water hazard class

GHS Signal Word

Danger

GHS Precautionary statements

P280-P305+P351+P338-P310

UN Number

3261

European Hazard Symbols

Corrosive (C)

Safety Statements

22-26-27-36/37/39-45

MSDS Link

Download link

Risk Statements

20/21/22-34

Personal Protective Equipment

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Packing Group

RID/ADR

UN 3261 8/PG 2

Physical Property

Melting Point

187-189 °C(lit.)

Product Information

Purity

98%

Linear Formula

(CH3)3C6(CH2Br)3

No Data Available

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No Data Available

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Sigma Aldrich

388467

Packaging
5 g in glass bottle

No Data Available

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Academic Data

PubChem

89140

IUPAC Traditional name

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

Synonyms

1,3,5-Tri(bromomethyl)-2,4,6-trimethylbenzene2,4,6-三溴甲基三甲基苯2,4,6-Tris(bromomethyl)mesitylene1,3,5-Tris(broMoMethyl)-2,4,6-triMethylbenzene

IUPAC name

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

PubChem SID

16207415224864231

MDL Number

MFCD00192554

CAS Number

21988-87-4

Safety Information

Physical Property

Melting Point

187-189 °C(lit.)

Product Information

Purity

98%

Linear Formula

(CH3)3C6(CH2Br)3

Sigma Aldrich

388467

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:87036