1-Chloro-2-methylpropan-2-ol

C₄H₉ClOCAS 558-42-9108.57 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₉ClO
Molar mass: 108.57 g/mol
Exact mass: 108.0342 Da
Density: 1.087 g/mL (at 0 °C)
Melting point: −20 °C
Boiling point: 128.5 °C
logP: 1.00Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation73.9% of notifiers
H319 Causes serious eye irritation73.9% of notifiers
H335 May cause respiratory irritation73.2% of notifiers

Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

558-42-9

SMILES

CC(C)(O)CCl

InChIKey

JNOZGFXJZQXOSU-UHFFFAOYSA-N

InChI

InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

1-Chloro-2-methyl-2-propanol
2-Propanol, 1-chloro-2-methyl-
Isobutylene chlorohydrin
Chloro-tert-butyl alcohol
1,1-Dimethyl-2-chloroethyl alcohol
2-Chloro-1,1-dimethylethanol
NSC 46574

Work with 1-Chloro-2-methylpropan-2-ol

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

2,5-Dimethyl-2,5-hexanediol110-03-250 % similar 2-Methylpropane-1,2-diol558-43-045 % similar tert-Amyl alcohol75-85-445 % similar 1-Amino-2-methyl-2-propanol2854-16-243 % similar 2,2-Dimethyl-1,3-dichloropropane29559-55-542 % similar 1-Chloro-2,2-dimethylpropane753-89-942 % similar Isopentyldiol2568-33-441 % similar 2-Methylpentan-2-ol590-36-341 % similar

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

Same formula

1-Chloro-3-methoxypropane36215-07-3 t-Butyl hypochlorite507-40-4 1-Chloro-2-ethoxyethane628-34-2 4-Chloro-1-butanol928-51-8

Elsewhere

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