Neophyl chloride

C₁₀H₁₃ClCAS 515-40-2168.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃Cl
Molar mass: 168.66 g/mol
Exact mass: 168.0706 Da
Density: 1.047 g/mL (at 20 °C)
Melting point: 54.5–55 °C
Boiling point: 223 °C
logP: 3.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation96.6% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

515-40-2

SMILES

CC(C)(CCl)c1ccccc1

InChIKey

DNXXUUPUQXSUFH-UHFFFAOYSA-N

InChI

InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

Weigh it out

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Names and synonyms

11 names

Benzene, (2-chloro-1,1-dimethylethyl)-
(2-Chloro-1,1-dimethylethyl)benzene
(β-Chloro-tert-butyl)benzene
(β-Chloro-α,α-dimethyl)ethylbenzene
1-Chloro-2-methyl-2-phenylpropane
β,β-Dimethylphenethyl chloride
2-Methyl-2-phenylpropyl chloride
NSC 54159
NSC 923
(1,1-Dimethyl-2-chloroethyl)benzene
(1-Chloro-2-methylpropan-2-yl)benzene

Reactions

NEOPHYL CHLORIDE (Benzene, (2-chloro-1,1-dimethylethyl)-)product

Work with Neophyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Amylbenzene2049-95-858 % similar 2,4-Diphenyl-4-methyl-1-pentene6362-80-745 % similar (1-Chloro-1-methylethyl)benzene934-53-244 % similar 2,3-Dimethyl-2,3-diphenylbutane1889-67-444 % similar Dimethyldiphenylmethane778-22-344 % similar tert-Butylbenzene98-06-644 % similar 1,1,3-Trimethyl-3-phenylindane3910-35-844 % similar 1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene6683-46-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Butyl-4-chlorobenzene15499-27-1 2,4,6-Trimethylbenzyl chloride1585-16-6 4-Isopropylbenzyl chloride2051-18-5 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-3 1-Chloro-4-phenylbutane4830-93-7 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-2

Elsewhere

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