(1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl chloride

HCID 26620

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 14297-81-5
Standard SMILES: CC(C)=CC1C(C(=O)Cl)C1(C)C
InChIKey: VNTCVNLNEOVBEE-UHFFFAOYSA-N
Molecular formula: C10H15ClO
Average molar mass: 186.68 g/mol
Monoisotopic mass: 186.08114278

Names & identifiers

Preferred name: (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl chloride
IUPAC: 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonyl chloride
English name: Chrysanthemoyl chloride
Molecular formula: C10H15ClO
Molecular weight: 186.68

Names & synonyms

EINECS 224-780-9(1R-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl chlorideRefChem:393571224-780-9Chrysanthemoyl chloride14297-81-5Chrysanthemic acid chloride2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonyl chloride2,2-Dimethyl-3-(2-methyl-1-propenyl)-cyclopropanecarbonylchlorideChrysanthemumic acid chlorideChrysanthemummonocarbonyl chlorideEINECS 238-229-5

Show more names

CHRYSANOYL CHLORIDE2,2-dimethyl-3-(2-methyl-1-propenyl)-cyclopropanecarbonyl chlorideCyclopropanecarbonyl chloride, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-(1R-cis)-2,2-Dimethyl-3-(2-methylprop-1-enyl) cyclopropanecarbonyl chloride(±)cis，trans-2，2-dimethyl-3-(2-methyl-1-propenyl cyclopropane carbonyl chloride)

ChrysanthemoylchlorideChrysanthemoyl-chloridCyclopropanecarbonyl chloride, 2,2-dimethyl-3-(2-methyl-1-propenyl)-Cyclopropanecarbonylchloride, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-CYCLOPROPANECARBONYL CHLORIDE, 2,2-DIMETHYL-3-(2-METHYLPROPENYL)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBONYL CHLORIDESCHEMBL554915DTXSID50931698

Database identifiers

CAS: 14297-81-5、4489-14-9、53955-46-7
PubChem CID: 26620
DTXSID: DTXSID50931698
EC Number: 224-780-9、238-229-5、258-886-1
Nikkaji: J70.189K

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 236

Physicochemical properties

Boiling point: 206 °C · 206°C
Density: 1.098 · 1.098
Flash point: 100 °C · 100°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, 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%)

Chemistry & industry

Applications

UsesChrysanthemum chloride is an important intermediate of pyrethroids, which can be used to synthesize pyrethroids such as allethrin, propenthrin, permethrin, fenthrin, and fenothrin.