CAS 7435-83-8 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene (HCID 81939)

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Basic information

CAS: 7435-83-8
Standard SMILES: Cc1cc(C)c(C)c(CCl)c1C
InChIKey: UGAPPXGBBWAIGT-UHFFFAOYSA-N
Molecular formula: C11H15Cl
Average molar mass: 182.69 g/mol
Monoisotopic mass: 182.08622816

Names & identifiers

Preferred name: 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene
IUPAC: 3-(chloromethyl)-1,2,4,5-tetramethylbenzene
English name: 2,3,5,6-Tetramethylbenzyl chloride
Molecular formula: C11H15Cl
Molecular weight: 182.69

Names & synonyms

7435-83-83-(Chloromethyl)-1,2,4,5-tetramethylbenzene2,3,5,6-TETRAMETHYLBENZYL CHLORIDEBenzene, 3-(chloromethyl)-1,2,4,5-tetramethyl-EINECS 231-087-5NSC 85458BRN 1863560DTXSID402253564-05-00-01111 (Beilstein Handbook Reference)RefChem:275254DTXCID40147847231-087-5

Show more names

2,3,5,6-Tetramethylbenzyl chloride, 98+%

UGAPPXGBBWAIGT-UHFFFAOYSA-N2,3,5,6-TetramethylbenzylchlorideMFCD00013679NSC854583-(chloromethyl)-1,2,4,5-tetramethyl-benzenNCIOpen2_000970SCHEMBL2268447NSC-85458

Database identifiers

CAS: 7435-83-8
PubChem CID: 81939
DTXSID: DTXSID40225356
EC Number: 231-087-5
Nikkaji: J54.873A

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 70 · 70-71°C
Boiling point: 143 · 143-144 °C(Press: 18 Torr)
Density: 1.002 · 1.002±0.06 g/cm3(Predicted)
form: solid
BRN: 1863560 · 1863560
InChI: 1S/C11H15Cl/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5H,6H2,1-4H3
InChIKey: UGAPPXGBBWAIGT-UHFFFAOYSA-N
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352101 · 12352101
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335
Precautionary statements: 261 · P261-P264-P280-P304+P340+P312-P403+P233-P501
target organs: Respiratory system
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.