CAS 60736-79-0 1-(Chloromethyl)-4-(2-methylpropyl)benzene (HCID 181289)

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Basic information

CAS: 60736-79-0
Standard SMILES: CC(C)Cc1ccc(CCl)cc1
InChIKey: RVQOLTBRWHPYTM-UHFFFAOYSA-N
Molecular formula: C11H15Cl
Average molar mass: 182.69 g/mol
Monoisotopic mass: 182.08622816

Names & identifiers

Preferred name: 1-(Chloromethyl)-4-(2-methylpropyl)benzene
IUPAC: 1-(chloromethyl)-4-(2-methylpropyl)benzene
English name: 1-(chloromethyl)-4-isobutylbenzene
Molecular formula: C11H15Cl
Molecular weight: 182.69

Names & synonyms

1-(chloromethyl)-4-(2-methylpropyl)benzene60736-79-0DTXSID60976212RefChem:427487DTXCID401403592853-345-1p-Isobutylbenzyl chloride4-isobutylbenzyl chlorideBenzene, 1-(chloromethyl)-4-(2-methylpropyl)-SCHEMBL1446710SCHEMBL28293820RVQOLTBRWHPYTM-UHFFFAOYSA-N

Show more names

1-(chloromethyl)-4-isobutylbenzene

CS-0253494EN300-64557G45025

Database identifiers

CAS: 60736-79-0
PubChem CID: 181289
DTXSID: DTXSID60976212
EC Number: 853-345-1

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 112

Physicochemical properties

Boiling point: 123 · 123-124 °C(Press: 15 Torr)
Density: 0.996 · 0.996±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H302
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H314-H302
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501