Benzene, 2-(chloromethyl)-1,4-dimethyl-

HCID 69987CAS 824-45-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C)c(CCl)c1
InChIKey
PECXPZGFZFGDRD-UHFFFAOYSA-N
Molecular formula
C9H11Cl
Average molar mass
154.63 g/mol
Monoisotopic mass
154.05492803

Names & identifiers

Preferred name
Benzene, 2-(chloromethyl)-1,4-dimethyl-
IUPAC
2-(chloromethyl)-1,4-dimethylbenzene
English name
2,5-Dimethylbenzyl chloride
Molecular formula
C9H11Cl
Molecular weight
154.64

Names & synonyms

2,5-Dimethylbenzyl chloride2-Chloromethyl-p-xyleneBenzene, 2-(chloromethyl)-1,4-dimethyl-EINECS 212-529-61,4-Dimethyl-2-(chloromethyl)benzeneNSC 133437AI3-15520DTXSID4061177RefChem:117329DTXCID2048294212-529-6PECXPZGFZFGDRD-UHFFFAOYSA-N
Show more names
AKOS BBS-00004039(Chloromethyl)-p-xylene2,5-Dimethy Benzyl Chloride2,5-DimethylbenzylChloride>2,5-Dimethylbenzyl chloride,98%1,4-Dimethyl-2-chloromethylbenzene
824-45-32-(Chloromethyl)-1,4-dimethylbenzene1-Chloromethyl-2,5-dimethylbenzeneMFCD000009022,5-dimethylbenzylchloride2-(Chloromethyl)-1,4-DiMethyl-Benzene2.5-Dimethylbenzyl chlorideNSC-133437

Database identifiers

CAS
824-45-3
PubChem CID
69987
DTXSID
DTXSID4061177
UNII
GG9MT2WWS6
EC Number
212-529-6
Nikkaji
J31.727F

Properties

Computed structural properties

XLogP
3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
-43.35 °C · -43.35°C (estimate)
Boiling point
221 · 221-226 °C(lit.)
Density
1.046 g/mL · 1.046 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.537(lit.)
Flash point
150 °F · 150 °F
storage temp.
2 · Storage temp. 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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzene, 2-(chloromethyl)-1,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29039990
risk_code
34-36/37

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 2-(chloromethyl)-1,4-dimethyl-: INACTIVE
Applications · 1 item

Uses2,5-Dimethylbenzyl chloride undergoes low-temperature Friedel-Crafts step-growth polymerization reaction. It has been studied for the effect of reaction conditions on polymer molecular weight, linearity, glass transition temperature, and crystalline properties.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

33 records
New reaction record

Linked notes

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