4-Methylbenzyl chloride

HCID 7722CAS 104-82-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(CCl)cc1
InChIKey
DMHZDOTYAVHSEH-UHFFFAOYSA-N
Molecular formula
C8H9Cl
Average molar mass
140.61 g/mol
Monoisotopic mass
140.03927797

Names & identifiers

Preferred name
4-Methylbenzyl chloride
IUPAC
1-(chloromethyl)-4-methylbenzene
English name
4-Methylbenzyl chloride
Molecular formula
C8H9Cl
Molecular weight
140.61

Names & synonyms

4-Methylbenzyl chloride104-82-5p-Xylyl chloride1-(Chloromethyl)-4-methylbenzeneALPHA-CHLORO-P-XYLENEp-Methylbenzyl chloride4-(Chloromethyl)tolueneBenzene, 1-(chloromethyl)-4-methyl-p-(Chloromethyl)toluenep-Tolylmethyl chloridep-Xylene, alpha-chloro-(4-Methylphenyl)methyl chloride
Show more names
MBCPXCL1pha-ChLoro-p-xyL4-Xylyl chlorideA-CHLORO-P-XYLENE
p-Xylyl-alpha-chlorideDTXSID2051477NSC-46590858830J11HDTXCID0030081RefChem:99854203-241-11-Chloromethyl-4-methyl-benzene

Database identifiers

CAS
104-82-5
PubChem CID
7722
DTXSID
DTXSID2051477
UNII
858830J11H
EC Number
203-241-1
Nikkaji
J3.233F

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesBoiling point
OdorIRRITATING ODOR
Density1.0512 @ 20 °C/4 °C
Color/FormLIQUID
Solubility · 2 items

PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL

SOL IN ALL PROP IN ETHER

Physicochemical properties

Melting point
4 °C · 4 °C(lit.)
Boiling point
200 °C · 200 °C(lit.)
Density
1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.533(lit.)
Flash point
168 °F · 168 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227: Combustible liquid [Warning Flammable liquids]

Hazard information

Regulatory Information · 2 items

Chemical: Benzene, 1-(chloromethyl)-4-methyl-

4-Methylbenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryPowerful lachrymator; [Merck Index] Corrosive; Harmful if swallowed; May cause chemical pneumonitis after inhalation of high concentrations; [MSDSonline]
Hazard Classes and Categories · 2 items

Acute Tox. 4 (98.4%)

Flammable liquids - Category 4

Toxicology

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts · 2 items

POWERFUL LACRIMATOR.

STRONG IRRITANT TO...SKIN. /M-XYLYL CHLORIDE/

Safety data

F
19
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
ZE4030000
ridadr
UN 2922 8/PG 3

Chemistry & industry

Uses & manufacturing

Methods of Manufacturing...SIMILAR TO THAT OF M-ISOMER: NEWMAN, GEORGE, J ORG CHEM 26, 4306 (1961). /M-XYLYL CHLORIDE IS PREPD FROM M-XYLENE & SULFURYL CHLORIDE: VAN ZANTEN, NAUTA, REC TRAV CHIM 79, 1211 (1960)./
General Manufacturing InformationBenzene, 1-(chloromethyl)-4-methyl-: ACTIVE
Applications · 1 item

Usesα-Chloro-p-methyltoluene-13C is the labeled analogue of α-Chloro-p-methyltoluene(C369770). α-Chloro-p-methyltoluene is a building block that has been used as a reactant for the preparation of 6-aminoquinolone derivatives as submicromolar hepatitis C virus NS5B inhibitors

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
青岛和兴精细化学有限公司0532-66915948

Related reactions

110 records
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Linked notes

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