3,4-Dimethylbenzyl chloride

HCID 66018CAS 102-46-5

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(CCl)cc1C
InChIKey: UBQRAAXAHIKWRI-UHFFFAOYSA-N
Molecular formula: C9H11Cl
Average molar mass: 154.63 g/mol
Monoisotopic mass: 154.05492803

Names & identifiers

Preferred name: 3,4-Dimethylbenzyl chloride
IUPAC: 4-(chloromethyl)-1,2-dimethylbenzene
English name: 3,4-Dimethylbenzyl chloride
Molecular formula: C9H11Cl
Molecular weight: 154.64

Names & synonyms

3,4-Dimethylbenzyl chloride102-46-5Benzene, 4-(chloromethyl)-1,2-dimethyl-EINECS 203-032-5NSC 62669DTXSID4059251RefChem:91214DTXCID7032680UBQRAAXAHIKWRI-UHFFFAOYSA-N4-(Chloromethyl)-1,2-dimethylbenzeneMFCD00000910Benzene, 1-(chloromethyl)-3,4-dimethyl-

Show more names

Esperox 570Lupersol 575AKOS BBS-00003954(contains isoMer)3,4-Dimethylbenzyl c4-CHLOROMETHYL-O-XYLENE3,4-Dimethylbenzyl chloride 70%3,4-DiMethylbenzyl Chloride 1-CHLOROMETHYL-3,4-DIMETHYLBENZENE

4-(Chloromethyl)-1,2-DiMethyl-BenzeneNSC-626694-(Chloromethyl)-o-xylene1-chloromethyl-3,4-dimethylbenzeneNSC626691-(Chloromethyl)-3,4-dimethylbenzene3,4-dimethyl benzyl chlorideSCHEMBL540384

Database identifiers

CAS: 102-46-5
PubChem CID: 66018
DTXSID: DTXSID4059251
UNII: A77HY5M734
EC Number: 203-032-5
Nikkaji: J31.725J

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: 116 · 116-117 °C24 mm Hg(lit.)
Density: 1.056 g/mL · 1.056 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.54(lit.)
Flash point: 205 °F · 205 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Liquid
color: Clear colorless to pale yellow
CAS DataBase Reference: 102 · 102-46-5(CAS DataBase Reference)
NIST Chemistry Reference: 4 · Benzene, 4-(chloromethyl)-1,2-dimethyl-(102-46-5)
EPA Substance Registry System: 4 · Benzene, 4-(chloromethyl)-1,2-dimethyl- (102-46-5)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 290 · H290-H314
Precautionary statements: 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (97.6%)

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 2903998090
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H290-H314
Precautionary statements: P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501