2,4,6-Trimethylbenzyl chloride

HCID 74108
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Substructure searchFind similar structures

Basic information

CAS
1585-16-6
Standard SMILES
Cc1cc(C)c(CCl)c(C)c1
InChIKey
UNRGEIXQCZHICP-UHFFFAOYSA-N
Molecular formula
C10H13Cl
Average molar mass
168.66 g/mol
Monoisotopic mass
168.0705781

Names & identifiers

Preferred name
2,4,6-Trimethylbenzyl chloride
IUPAC
2-(chloromethyl)-1,3,5-trimethylbenzene
English name
alpha-2-Chloroisodurene
Molecular formula
C10H13Cl
Molecular weight
168.66

Names & synonyms

1585-16-62,4,6-Trimethylbenzyl chloridealpha-2-Chloroisodurene2-(Chloromethyl)-1,3,5-trimethylbenzeneBenzene, 2-(chloromethyl)-1,3,5-trimethyl-MFCD00000901alpha2-Chloroisodurene2-(Chloromethyl)-1,3,5-TriMethyl-Benzene2-Chloromethyl-1,3,5-trimethylbenzene|A2-Chloroisodurene(Chloromethyl)mesityleneEINECS 216-440-3
Show more names
MESITYL ALCOHOLMESITYLMETHANOLAKOS BBS-00003968AZ-CHLOROISODURENEα2-ChloroisodureneA-2-CHLOROISODURENEα-2-ChloroisodureneRARECHEM AL BD 0049à(2)-chloroisodurene
NSC405484Mesitylmethyl chloridealpha2 chloroisodureneAI3-15521.alpha.2-Chloroisodurenealpha2-Chloroisodurene, 98%SCHEMBL531025DTXSID20166435

Database identifiers

CAS
1585-16-6
PubChem CID
74108
DTXSID
DTXSID20166435
EC Number
216-440-3
Nikkaji
J206.826E

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionWhite solid; mp = 36-38 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
87 · 87-89 °C(lit.)
Boiling point
140 °C15 · 140 °C15 mm Hg(lit.)
Density
1.0131 · 1.0131 (estimate)
refractive index
1.5162 · 1.5162 (estimate)
Flash point
223 °F · 223 °F
storage temp.
2 · Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
rtecs
DP1402000
ridadr
UN 3261 8/PG 2
hs_code
29036990
risk_code
34-20/21/22

Chemistry & industry

Applications

Uses2,4,6-Trimethylbenzyl Chloride (cas# 1585-16-6) is a compound useful in organic synthesis.

General Descriptionα2-Chloroisodurene undergoes coupling reaction with methylmagnesium iodide to yield 1,2-dimesitylethane.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
济南昕维医药科技有限公司18354101831 13305414159

Related reactions

38 records
New reaction record

Compound notes

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