4-Methylbenzyl chloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
104-82-5- 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 propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.6
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesBoiling point
OdorIRRITATING ODOR
Density1.0512 @ 20 °C/4 °C
Color/FormLIQUID
Solubility
PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL
SOL IN ALL PROP IN ETHER
Boiling Point200-202 °C
DecompositionWhen heated to decomp ... emits toxic fumes of /hydrogen chloride/.
Vapor Pressure0.29 [mmHg]
Refractive IndexINDEX OF REFRACTION: 1.5360 @ 17 °C/D
Physical Description
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
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
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
Acute Tox. 4 (98.4%)
Flammable liquids - Category 4
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts
POWERFUL LACRIMATOR.
STRONG IRRITANT TO...SKIN. /M-XYLYL CHLORIDE/
Safety data
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
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
Downstream products
Related reactions
110 records
Compound notes
Loading…