2,4-Dimethylbenzyl chloride

HCID 69989CAS 824-55-5

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Basic information

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

Names & identifiers

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

Names & synonyms

2,4-Dimethylbenzyl chloride824-55-5Benzene, 1-(chloromethyl)-2,4-dimethyl-NSC 574EINECS 212-531-7NSC 405479AI3-15519DTXSID90611781,3-Dimethyl-4-(chloromethyl)benzeneRefChem:82530DTXCID7048295BETNPSBTDMBHCZ-UHFFFAOYSA-N

Show more names

TIMTEC-BB SBB005790(contains 2,6-isoMer)2,4-Dimethylbenzyl chloride,99%2,4-DiMethylbenzyl Chloride 2,4-Dimethylbenzyl Chloride, Gc2,4-Dimethylbenzyl chloride, GC 97%

1-(Chloromethyl)-2,4-dimethylbenzene4-(Chloromethyl)-m-xyleneMFCD000155562,4-Dimethyl-1-(chloromethyl)benzene1-(Chloromethyl)-2,4-DiMethyl-Benzene24-Dimethylbenzyl Chloride1-Chloromethyl-2,4-dimethylbenzene1-chloromethyl-2,4-dimethyl-benzene

Database identifiers

CAS: 824-55-5
PubChem CID: 69989
DTXSID: DTXSID9061178
EC Number: 212-531-7
Nikkaji: J31.728D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: -43.35 °C · -43.35°C (estimate)
Boiling point: 103 °C · 103 °C (15 mmHg)
Density: 1.06 · 1.06
refractive index: 1.5375 · 1.5375-1.5395
Flash point: 96 °C · 96°C
form: clear liquid
color: Colorless to Almost colorless
BRN: 742366 · 742366
CAS DataBase Reference: 824 · 824-55-5(CAS DataBase Reference)
EPA Substance Registry System: 1 · Benzene, 1-(chloromethyl)-2,4-dimethyl- (824-55-5)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P309-P310
Hazard Codes: C,Xi
Risk Statements: 34 · 34
Safety Statements: 45 · 45-36/37/39-25
RIDADR: 3265 · 3265
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29171900 · 29171900

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (82.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.