Isopropyl chloride

C₃H₇ClCAS 75-29-678.54 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₃H₇Cl
Molar mass: 78.54 g/mol
Exact mass: 78.0236 Da
Density: 0.8617 g/mL (at 20 °C)
Melting point: −117.2 °C
Boiling point: 35.7 °C
Critical temperature: 211.9 °C (485.0 K)ChemSep
Critical pressure: 47.2 barChemSep
Acentric factor: 0.199ChemSep
Enthalpy of formation (gas): −144.77 kJ/molChemSep
Flash point: -32.2 °C (closed cup)
logP: 1.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H332 Harmful if inhaledAcute toxicity, inhalation

Harmonised EU classification (CLP Annex VI, index 602-018-00-X[2]), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

75-29-6

SMILES

CC(C)Cl

InChIKey

ULYZAYCEDJDHCC-UHFFFAOYSA-N

InChI

InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 4.14 (sept, J = 7.0 Hz, 1H), 1.49 (d, J = 7.0 Hz, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 46.9, 25.1.

[M + H]+

[M + H]+ Calcd for C3H8Cl 79.0309

[M + Na]+

[M + Na]+ Calcd for C3H7ClNa 101.0128

[M − H]−

[M − H]− Calcd for C3H6Cl 77.0164

Elemental analysis

Anal. Calcd for C3H7Cl: C, 45.88; H, 8.98.

Weigh it out

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

Names and synonyms

9 names

Propane, 2-chloro-
2-Chloropropane
Isoprid
Narcosop
2-Propyl chloride
sec-Propyl chloride
Chlorodimethylmethane
R 280Da
LBL 2

Work with Isopropyl 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

1,1-Dichloroethane75-34-338 % similar 2,3-Dichlorobutane7581-97-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

n-Propyl chloride540-54-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia